4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide

C21H22N4O3 — CID 146066321

IUPAC4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1CCc2nc(-c3ccccc3)[nH]c(=O)c2CC1
InChIInChI=1S/C21H22N4O3/c1-13-18(28-12-23-13)21(27)22-11-14-7-9-16-17(10-8-14)24-19(25-20(16)26)15-5-3-2-4-6-15/h2-6,12,14H,7-11H2,1H3,(H,22,27)(H,24,25,26)
InChIKeyOJLIYGPQAZFSJV-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.66
Rot. Bonds4

About 4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide

4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide (PubChem CID 146066321) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide
PubChem CID146066321
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1CCc2nc(-c3ccccc3)[nH]c(=O)c2CC1
InChIInChI=1S/C21H22N4O3/c1-13-18(28-12-23-13)21(27)22-11-14-7-9-16-17(10-8-14)24-19(25-20(16)26)15-5-3-2-4-6-15/h2-6,12,14H,7-11H2,1H3,(H,22,27)(H,24,25,26)
InChIKeyOJLIYGPQAZFSJV-UHFFFAOYSA-N
XLogP2.66
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide 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-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide
CID 146068294
2,4-dimethyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]benzamide
CID 146066335
N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]cyclopentanecarboxamide
CID 146066311
N-[[2-(4-fluorophenyl)-4-oxo-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl]methyl]-6-methylpyridine-3-carboxamide
CID 146066370
N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 127017043
N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79881793
6-acetyl-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135478590
N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide
CID 135983224
N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 114303022
7-[(3R)-1-methylpiperidine-3-carbonyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136733959
5-hydroxy-6-oxo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135971587
4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 45230085

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide (CID 146066321) is 4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCC1CCc2nc(-c3ccccc3)[nH]c(=O)c2CC1.
What is the InChIKey of 4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is OJLIYGPQAZFSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-18(28-12-23-13)21(27)22-11-14-7-9-16-17(10-8-14)24-19(25-20(16)26)15-5-3-2-4-6-15/h2-6,12,14H,7-11H2,1H3,(H,22,27)(H,24,25,26).
What are the key properties of 4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-oxo-2-phenyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl)methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 146066321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).