3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide

C19H20N4O3 — CID 135974780

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)CCc3c(C)noc3C)c2)n1
InChIInChI=1S/C19H20N4O3/c1-11-9-18(25)22-19(20-11)14-5-4-6-15(10-14)21-17(24)8-7-16-12(2)23-26-13(16)3/h4-6,9-10H,7-8H2,1-3H3,(H,21,24)(H,20,22,25)
InChIKeyTWTWQRJSDYAKPH-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.92
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide (PubChem CID 135974780) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide
PubChem CID135974780
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)CCc3c(C)noc3C)c2)n1
InChIInChI=1S/C19H20N4O3/c1-11-9-18(25)22-19(20-11)14-5-4-6-15(10-14)21-17(24)8-7-16-12(2)23-26-13(16)3/h4-6,9-10H,7-8H2,1-3H3,(H,21,24)(H,20,22,25)
InChIKeyTWTWQRJSDYAKPH-UHFFFAOYSA-N
XLogP2.92
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-diethylphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 30843324
3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide
CID 136818206
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide
CID 122285788
N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 146021965
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
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3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 8623625
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009413
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CID 110651196
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
CID 136734003
2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 136741983
4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide
CID 136731179
(2S,3S)-2-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide (CID 135974780) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide is Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CCc3c(C)noc3C)c2)n1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide?
The InChIKey is TWTWQRJSDYAKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11-9-18(25)22-19(20-11)14-5-4-6-15(10-14)21-17(24)8-7-16-12(2)23-26-13(16)3/h4-6,9-10H,7-8H2,1-3H3,(H,21,24)(H,20,22,25).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide has a molecular weight of 352.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide is sourced from PubChem (CID 135974780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).