N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide

C19H20N4O3 — CID 70718184

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCc1cc(CN(C)C(=O)c2cnc(-c3ccc(C)cc3)[nH]c2=O)on1
InChIInChI=1S/C19H20N4O3/c1-4-14-9-15(26-22-14)11-23(3)19(25)16-10-20-17(21-18(16)24)13-7-5-12(2)6-8-13/h5-10H,4,11H2,1-3H3,(H,20,21,24)
InChIKeyFVGSUIZUGVFJSU-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.57
Rot. Bonds5

About N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70718184) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70718184
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCc1cc(CN(C)C(=O)c2cnc(-c3ccc(C)cc3)[nH]c2=O)on1
InChIInChI=1S/C19H20N4O3/c1-4-14-9-15(26-22-14)11-23(3)19(25)16-10-20-17(21-18(16)24)13-7-5-12(2)6-8-13/h5-10H,4,11H2,1-3H3,(H,20,21,24)
InChIKeyFVGSUIZUGVFJSU-UHFFFAOYSA-N
XLogP2.57
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70745592
N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70718296
N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide
CID 70711569
2-(dimethylamino)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 72940380
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,5-dimethyl-1H-indazole-3-carboxamide
CID 56703447
3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide
CID 72893992
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 97147169
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 56714839
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide
CID 70774408
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide
CID 91787193
N-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide
CID 70715770
N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 97116459

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 70718184) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide is CCc1cc(CN(C)C(=O)c2cnc(-c3ccc(C)cc3)[nH]c2=O)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is FVGSUIZUGVFJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-4-14-9-15(26-22-14)11-23(3)19(25)16-10-20-17(21-18(16)24)13-7-5-12(2)6-8-13/h5-10H,4,11H2,1-3H3,(H,20,21,24).
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70718184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).