3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide

C18H18N4O2 — CID 134009413

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C18H18N4O2/c1-12-16(13(2)24-22-12)8-9-17(23)21-15-10-19-18(20-11-15)14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,21,23)
InChIKeySFNWSFXEANEYMU-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.32
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide (PubChem CID 134009413) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
PubChem CID134009413
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C18H18N4O2/c1-12-16(13(2)24-22-12)8-9-17(23)21-15-10-19-18(20-11-15)14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,21,23)
InChIKeySFNWSFXEANEYMU-UHFFFAOYSA-N
XLogP3.32
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 61221265
2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]phenyl]acetic acid
CID 119218412
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-propan-2-yloxy-3-pyridinyl)propanamide
CID 75461759
N-(5-benzyl-1,3-thiazol-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 17459661
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide
CID 122299713
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 8623625
3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
CID 134009492
N-(2,6-diethylphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 30843324
N-(2,6-dichlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110651196
2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzoic acid
CID 119164210
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide (CID 134009413) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide is Cc1noc(C)c1CCC(=O)Nc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide?
The InChIKey is SFNWSFXEANEYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-16(13(2)24-22-12)8-9-17(23)21-15-10-19-18(20-11-15)14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,21,23).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide has a molecular weight of 322.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 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-(2-phenylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 134009413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).