3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide

C19H20N4O2 — CID 95150327

About 3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide

3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide (PubChem CID 95150327) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide
• PubChem CID: 95150327
• Molecular Formula: C19H20N4O2
• Molecular Weight: 336.40 g/mol
• Exact Mass: 336.16
• IUPAC Name: 3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide
• SMILES: Cc1cc(C(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)on1
• InChI: InChI=1S/C19H20N4O2/c1-12-11-20-23(16-9-5-7-14-6-3-4-8-15(14)16)18(12)21-19(24)17-10-13(2)22-25-17/h3-4,6,8,10-11,16H,5,7,9H2,1-2H3,(H,21,24)/t16-/m0/s1
• InChIKey: KSLLKJOCNVTUFS-INIZCTEOSA-N
• XLogP: 3.67
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.40
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide?

The IUPAC name of 3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide (CID 95150327) is 3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for 3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for 3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)on1.

What is the InChIKey of 3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide?

The InChIKey is KSLLKJOCNVTUFS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-11-20-23(16-9-5-7-14-6-3-4-8-15(14)16)18(12)21-19(24)17-10-13(2)22-25-17/h3-4,6,8,10-11,16H,5,7,9H2,1-2H3,(H,21,24)/t16-/m0/s1.

What are the key properties of 3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide?

3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95150327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).