5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-4-carboxamide

C18H17ClN4O2 — CID 146152047

IUPAC5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-4-carboxamide
SMILESCC(C)(CNC(=O)c1ncncc1Cl)c1coc(-c2ccccc2)n1
InChIInChI=1S/C18H17ClN4O2/c1-18(2,10-21-16(24)15-13(19)8-20-11-22-15)14-9-25-17(23-14)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,21,24)
InChIKeyGRYREACOQTTYKX-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.49
Rot. Bonds5

About 5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-4-carboxamide

5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-4-carboxamide (PubChem CID 146152047) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-4-carboxamide
PubChem CID146152047
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-4-carboxamide
SMILESCC(C)(CNC(=O)c1ncncc1Cl)c1coc(-c2ccccc2)n1
InChIInChI=1S/C18H17ClN4O2/c1-18(2,10-21-16(24)15-13(19)8-20-11-22-15)14-9-25-17(23-14)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,21,24)
InChIKeyGRYREACOQTTYKX-UHFFFAOYSA-N
XLogP3.49
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-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

Related Compounds

3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide
CID 146152051
5-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazine-2-carboxamide
CID 167807582
N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]prop-2-enamide
CID 139016666
3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide
CID 146150262
N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-3-methylsulfonylbenzamide
CID 146152057
3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide
CID 146152026
[difluoro-[3-[3-[[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl] thiohypofluorite
CID 164881511
N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide
CID 119382372
N-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide
CID 110466865
N-[2-(tert-butylamino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34201550
3,3-dimethyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 91644907
4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine
CID 167784576

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-4-carboxamide (CID 146152047) is 5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-4-carboxamide is CC(C)(CNC(=O)c1ncncc1Cl)c1coc(-c2ccccc2)n1.
What is the InChIKey of 5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-4-carboxamide?
The InChIKey is GRYREACOQTTYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-18(2,10-21-16(24)15-13(19)8-20-11-22-15)14-9-25-17(23-14)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,21,24).
What are the key properties of 5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-4-carboxamide?
5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-4-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 146152047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).