2-[(1R)-1-(cyclopentanecarbonylamino)-2-methylpropyl]-5-methyl-N-(6-methyl-2-pyridinyl)-1,3-oxazole-4-carboxamide

C21H28N4O3 — CID 171913367

IUPAC2-[(1R)-1-(cyclopentanecarbonylamino)-2-methylpropyl]-5-methyl-N-(6-methyl-2-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2nc([C@H](NC(=O)C3CCCC3)C(C)C)oc2C)n1
InChIInChI=1S/C21H28N4O3/c1-12(2)17(24-19(26)15-9-5-6-10-15)21-25-18(14(4)28-21)20(27)23-16-11-7-8-13(3)22-16/h7-8,11-12,15,17H,5-6,9-10H2,1-4H3,(H,24,26)(H,22,23,27)/t17-/m1/s1
InChIKeyGSFMUIXZSUWXKH-QGZVFWFLSA-N
MW384.48 g/mol
LogP3.94
Rot. Bonds6

About 2-[(1R)-1-(cyclopentanecarbonylamino)-2-methylpropyl]-5-methyl-N-(6-methyl-2-pyridinyl)-1,3-oxazole-4-carboxamide

2-[(1R)-1-(cyclopentanecarbonylamino)-2-methylpropyl]-5-methyl-N-(6-methyl-2-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 171913367) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[(1R)-1-(cyclopentanecarbonylamino)-2-methylpropyl]-5-methyl-N-(6-methyl-2-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(1R)-1-(cyclopentanecarbonylamino)-2-methylpropyl]-5-methyl-N-(6-methyl-2-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID171913367
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-[(1R)-1-(cyclopentanecarbonylamino)-2-methylpropyl]-5-methyl-N-(6-methyl-2-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2nc([C@H](NC(=O)C3CCCC3)C(C)C)oc2C)n1
InChIInChI=1S/C21H28N4O3/c1-12(2)17(24-19(26)15-9-5-6-10-15)21-25-18(14(4)28-21)20(27)23-16-11-7-8-13(3)22-16/h7-8,11-12,15,17H,5-6,9-10H2,1-4H3,(H,24,26)(H,22,23,27)/t17-/m1/s1
InChIKeyGSFMUIXZSUWXKH-QGZVFWFLSA-N
XLogP3.94
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1R)-1-(cyclopentanecarbonylamino)-2-methylpropyl]-5-methyl-N-(6-methyl-2-pyridinyl)-1,3-oxazole-4-carboxamide 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-[(1R)-1-(cyclopentanecarbonylamino)-2-methylpropyl]-5-methyl-N-(6-methyl-2-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(1R)-1-(cyclopentanecarbonylamino)-2-methylpropyl]-5-methyl-N-(6-methyl-2-pyridinyl)-1,3-oxazole-4-carboxamide (CID 171913367) is 2-[(1R)-1-(cyclopentanecarbonylamino)-2-methylpropyl]-5-methyl-N-(6-methyl-2-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(1R)-1-(cyclopentanecarbonylamino)-2-methylpropyl]-5-methyl-N-(6-methyl-2-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(1R)-1-(cyclopentanecarbonylamino)-2-methylpropyl]-5-methyl-N-(6-methyl-2-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cccc(NC(=O)c2nc([C@H](NC(=O)C3CCCC3)C(C)C)oc2C)n1.
What is the InChIKey of 2-[(1R)-1-(cyclopentanecarbonylamino)-2-methylpropyl]-5-methyl-N-(6-methyl-2-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is GSFMUIXZSUWXKH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-12(2)17(24-19(26)15-9-5-6-10-15)21-25-18(14(4)28-21)20(27)23-16-11-7-8-13(3)22-16/h7-8,11-12,15,17H,5-6,9-10H2,1-4H3,(H,24,26)(H,22,23,27)/t17-/m1/s1.
What are the key properties of 2-[(1R)-1-(cyclopentanecarbonylamino)-2-methylpropyl]-5-methyl-N-(6-methyl-2-pyridinyl)-1,3-oxazole-4-carboxamide?
2-[(1R)-1-(cyclopentanecarbonylamino)-2-methylpropyl]-5-methyl-N-(6-methyl-2-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(cyclopentanecarbonylamino)-2-methylpropyl]-5-methyl-N-(6-methyl-2-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 171913367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).