N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide

C21H17N5O2 — CID 72902762

IUPACN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C21H17N5O2/c1-26(14-18-11-19(25-28-18)15-5-3-2-4-6-15)21(27)17-12-23-20(24-13-17)16-7-9-22-10-8-16/h2-13H,14H2,1H3
InChIKeyUPBBXVTZRPRWOW-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.47
Rot. Bonds5

About N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide

N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 72902762) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID72902762
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C21H17N5O2/c1-26(14-18-11-19(25-28-18)15-5-3-2-4-6-15)21(27)17-12-23-20(24-13-17)16-7-9-22-10-8-16/h2-13H,14H2,1H3
InChIKeyUPBBXVTZRPRWOW-UHFFFAOYSA-N
XLogP3.47
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide
CID 70757281
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide
CID 70771738
N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 70777582
N-methyl-4-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 131898307
6-amino-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 70776271
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 70786939
1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide
CID 91762349
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide
CID 46989874
N-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501303
1-methyl-3-(2-methylbutyl)-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 119060814
1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 126427845
N,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 56909999

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide (CID 72902762) is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide is CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cnc(-c2ccncc2)nc1.
What is the InChIKey of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is UPBBXVTZRPRWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-26(14-18-11-19(25-28-18)15-5-3-2-4-6-15)21(27)17-12-23-20(24-13-17)16-7-9-22-10-8-16/h2-13H,14H2,1H3.
What are the key properties of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 72902762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).