2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole

C19H29N3OS — CID 160636403

IUPAC2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/C7H11N.C6H9NO.C6H9NS/c1-6(2)7-4-3-5-8-7;2*1-5(2)6-7-3-4-8-6/h3-6,8H,1-2H3;2*3-5H,1-2H3
InChIKeyRIOZZIFASFBTEI-UHFFFAOYSA-N
MW347.53 g/mol
LogP6.20
Rot. Bonds3

About 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole

2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole (PubChem CID 160636403) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole
PubChem CID160636403
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC Name2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/C7H11N.C6H9NO.C6H9NS/c1-6(2)7-4-3-5-8-7;2*1-5(2)6-7-3-4-8-6/h3-6,8H,1-2H3;2*3-5H,1-2H3
InChIKeyRIOZZIFASFBTEI-UHFFFAOYSA-N
XLogP6.20
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.53
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole (CID 160636403) is 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole is CC(C)c1ccc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.
What is the InChIKey of 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole?
The InChIKey is RIOZZIFASFBTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C6H9NO.C6H9NS/c1-6(2)7-4-3-5-8-7;2*1-5(2)6-7-3-4-8-6/h3-6,8H,1-2H3;2*3-5H,1-2H3.
What are the key properties of 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole?
2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole has a molecular weight of 347.53 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 160636403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).