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

C17H17N5O2 — CID 70757281

IUPAC2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(C)Cc2cc(-c3ccncc3)no2)cn1
InChIInChI=1S/C17H17N5O2/c1-3-16-19-9-13(10-20-16)17(23)22(2)11-14-8-15(21-24-14)12-4-6-18-7-5-12/h4-10H,3,11H2,1-2H3
InChIKeyGRZIFSPYXSZLOY-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.36
Rot. Bonds5

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

2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 70757281) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide
PubChem CID70757281
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(C)Cc2cc(-c3ccncc3)no2)cn1
InChIInChI=1S/C17H17N5O2/c1-3-16-19-9-13(10-20-16)17(23)22(2)11-14-8-15(21-24-14)12-4-6-18-7-5-12/h4-10H,3,11H2,1-2H3
InChIKeyGRZIFSPYXSZLOY-UHFFFAOYSA-N
XLogP2.36
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72902762
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide
CID 70771738
N-methyl-4-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 131898307
1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide
CID 91762349
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
6-amino-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 70776271
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-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
CID 72837401
3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methyl-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 125442424
N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 70777582
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70786653

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide (CID 70757281) is 2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide is CCc1ncc(C(=O)N(C)Cc2cc(-c3ccncc3)no2)cn1.
What is the InChIKey of 2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is GRZIFSPYXSZLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-3-16-19-9-13(10-20-16)17(23)22(2)11-14-8-15(21-24-14)12-4-6-18-7-5-12/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide?
2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 70757281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).