ethane;methane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;3-propan-2-yl-1,2,4-triazine;1-propan-2-yltriazole;2-propan-2-yltriazole

C103H205N29O2 — CID 163648082

About ethane;methane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;3-propan-2-yl-1,2,4-triazine;1-propan-2-yltriazole;2-propan-2-yltriazole

ethane;methane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;3-propan-2-yl-1,2,4-triazine;1-propan-2-yltriazole;2-propan-2-yltriazole (PubChem CID 163648082) has the molecular formula C103H205N29O2 and a molecular weight of 1881.97 g/mol. Its IUPAC name is ethane;methane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;3-propan-2-yl-1,2,4-triazine;1-propan-2-yltriazole;2-propan-2-yltriazole.

Molecular Properties

• Compound Name: ethane;methane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;3-propan-2-yl-1,2,4-triazine;1-propan-2-yltriazole;2-propan-2-yltriazole
• PubChem CID: 163648082
• Molecular Formula: C103H205N29O2
• Molecular Weight: 1881.97 g/mol
• Exact Mass: 1880.68
• IUPAC Name: ethane;methane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;3-propan-2-yl-1,2,4-triazine;1-propan-2-yltriazole;2-propan-2-yltriazole
• SMILES: C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)c1nccnn1.CC(C)c1ncco1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnn1.CC(C)n1cnnn1.CC(C)n1nccn1.CC(C)n1ncnn1
• InChI: InChI=1S/2C7H10N2.2C7H11N.C6H9N3.2C6H10N2.2C6H9NO.2C5H9N3.2C4H8N4.13C2H6.CH4/c1-6(2)7-3-8-5-9-4-7;1-6(2)7-8-4-3-5-9-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-9-6;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;1-4(2)8-3-5-6-7-8;1-4(2)8-6-3-5-7-8;13*1-2;/h2*3-6H,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;2*3-4H,1-2H3;13*1-2H3;1H4
• InChIKey: IJYPSBPSINETEB-UHFFFAOYSA-N
• XLogP: 31.20
• TPSA: 358.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 13
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1881.97
LogP ≤ 5	31.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;3-propan-2-yl-1,2,4-triazine;1-propan-2-yltriazole;2-propan-2-yltriazole?

The IUPAC name of ethane;methane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;3-propan-2-yl-1,2,4-triazine;1-propan-2-yltriazole;2-propan-2-yltriazole (CID 163648082) is ethane;methane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;3-propan-2-yl-1,2,4-triazine;1-propan-2-yltriazole;2-propan-2-yltriazole.

What is the SMILES notation for ethane;methane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;3-propan-2-yl-1,2,4-triazine;1-propan-2-yltriazole;2-propan-2-yltriazole?

The canonical SMILES for ethane;methane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;3-propan-2-yl-1,2,4-triazine;1-propan-2-yltriazole;2-propan-2-yltriazole is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)c1nccnn1.CC(C)c1ncco1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnn1.CC(C)n1cnnn1.CC(C)n1nccn1.CC(C)n1ncnn1.

What is the InChIKey of ethane;methane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;3-propan-2-yl-1,2,4-triazine;1-propan-2-yltriazole;2-propan-2-yltriazole?

The InChIKey is IJYPSBPSINETEB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10N2.2C7H11N.C6H9N3.2C6H10N2.2C6H9NO.2C5H9N3.2C4H8N4.13C2H6.CH4/c1-6(2)7-3-8-5-9-4-7;1-6(2)7-8-4-3-5-9-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-9-6;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;1-4(2)8-3-5-6-7-8;1-4(2)8-6-3-5-7-8;13*1-2;/h2*3-6H,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;2*3-4H,1-2H3;13*1-2H3;1H4.

What are the key properties of ethane;methane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;3-propan-2-yl-1,2,4-triazine;1-propan-2-yltriazole;2-propan-2-yltriazole?

ethane;methane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;3-propan-2-yl-1,2,4-triazine;1-propan-2-yltriazole;2-propan-2-yltriazole has a molecular weight of 1881.97 g/mol, XLogP of 31.20, 13 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;3-propan-2-yl-1,2,4-triazine;1-propan-2-yltriazole;2-propan-2-yltriazole is sourced from PubChem (CID 163648082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).