3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-oxazol-5-yl)butanamide

C28H37N5O3 — CID 121345946

IUPAC3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-oxazol-5-yl)butanamide
SMILESCc1ccc(NC(=O)CC(Cc2cc(=O)[nH]o2)c2nnc(C3CC(CC(C)C)C3)n2C2CC2)c(C)c1
InChIInChI=1S/C28H37N5O3/c1-16(2)9-19-11-20(12-19)27-30-31-28(33(27)22-6-7-22)21(13-23-15-26(35)32-36-23)14-25(34)29-24-8-5-17(3)10-18(24)4/h5,8,10,15-16,19-22H,6-7,9,11-14H2,1-4H3,(H,29,34)(H,32,35)
InChIKeyWESJQNQSZOXPOW-UHFFFAOYSA-N
MW491.64 g/mol
LogP5.41
Rot. Bonds10

About 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-oxazol-5-yl)butanamide

3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-oxazol-5-yl)butanamide (PubChem CID 121345946) has the molecular formula C28H37N5O3 and a molecular weight of 491.64 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-oxazol-5-yl)butanamide.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-oxazol-5-yl)butanamide
PubChem CID121345946
Molecular FormulaC28H37N5O3
Molecular Weight491.64 g/mol
Exact Mass491.29
IUPAC Name3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-oxazol-5-yl)butanamide
SMILESCc1ccc(NC(=O)CC(Cc2cc(=O)[nH]o2)c2nnc(C3CC(CC(C)C)C3)n2C2CC2)c(C)c1
InChIInChI=1S/C28H37N5O3/c1-16(2)9-19-11-20(12-19)27-30-31-28(33(27)22-6-7-22)21(13-23-15-26(35)32-36-23)14-25(34)29-24-8-5-17(3)10-18(24)4/h5,8,10,15-16,19-22H,6-7,9,11-14H2,1-4H3,(H,29,34)(H,32,35)
InChIKeyWESJQNQSZOXPOW-UHFFFAOYSA-N
XLogP5.41
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-oxazol-5-yl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)pentanamide
CID 144615338
(3R)-3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxypentanamide
CID 121345980
(3S)-3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-3-propan-2-yloxypropanamide
CID 121346008
(3R)-3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-3-(3-hydroxycyclobutyl)propanamide
CID 121345726
(3S)-3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-phenylmethoxypentanamide
CID 121345714
trans-(1R,2R)-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-methoxycyclopentane-1-carboxamide
CID 121345749
4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-1-(2,4-dimethylphenyl)-5-(1,3-oxazol-2-yl)pentan-2-one
CID 159578325
(4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-1-(2,4-dimethylphenyl)-6,6,6-trifluorohexan-2-one
CID 149244199
(2R)-3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-2-ethyl-6-methoxyhexanamide
CID 144615289
4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-1-(2,4-dimethylphenyl)-5-hydroxyhexan-2-one
CID 153186807
3-[5-(2-cyclohexylethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-5-hydroxypentanamide
CID 121345451
4-cyano-N-(2,4-dimethylphenyl)-3-[5-[3-(2-methylbutyl)cyclobutyl]-4-propan-2-yl-1,2,4-triazol-3-yl]butanamide
CID 144615350

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-oxazol-5-yl)butanamide?
The IUPAC name of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-oxazol-5-yl)butanamide (CID 121345946) is 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-oxazol-5-yl)butanamide.
What is the SMILES notation for 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-oxazol-5-yl)butanamide?
The canonical SMILES for 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-oxazol-5-yl)butanamide is Cc1ccc(NC(=O)CC(Cc2cc(=O)[nH]o2)c2nnc(C3CC(CC(C)C)C3)n2C2CC2)c(C)c1.
What is the InChIKey of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-oxazol-5-yl)butanamide?
The InChIKey is WESJQNQSZOXPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O3/c1-16(2)9-19-11-20(12-19)27-30-31-28(33(27)22-6-7-22)21(13-23-15-26(35)32-36-23)14-25(34)29-24-8-5-17(3)10-18(24)4/h5,8,10,15-16,19-22H,6-7,9,11-14H2,1-4H3,(H,29,34)(H,32,35).
What are the key properties of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-oxazol-5-yl)butanamide?
3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-oxazol-5-yl)butanamide has a molecular weight of 491.64 g/mol, XLogP of 5.41, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-oxazol-5-yl)butanamide is sourced from PubChem (CID 121345946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).