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

C18H18N4O3 — CID 135676905

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanamide
SMILESCc1cc(NC(=O)CCc2c(C)nc(-c3ccccc3)[nH]c2=O)no1
InChIInChI=1S/C18H18N4O3/c1-11-10-15(22-25-11)20-16(23)9-8-14-12(2)19-17(21-18(14)24)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,19,21,24)(H,20,22,23)
InChIKeyQBBJJZLARWSMQJ-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.61
Rot. Bonds5

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

N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanamide (PubChem CID 135676905) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanamide
PubChem CID135676905
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanamide
SMILESCc1cc(NC(=O)CCc2c(C)nc(-c3ccccc3)[nH]c2=O)no1
InChIInChI=1S/C18H18N4O3/c1-11-10-15(22-25-11)20-16(23)9-8-14-12(2)19-17(21-18(14)24)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,19,21,24)(H,20,22,23)
InChIKeyQBBJJZLARWSMQJ-UHFFFAOYSA-N
XLogP2.61
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110331051
3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 135965594
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51368489
3-[2-(3-hydroxyphenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 136889147
3-[2-(4-fluorophenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 135973653
3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-methylsulfonylpropanamide
CID 146154481
(2S)-4-methyl-2-[3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid
CID 137010270
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390056
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide
CID 110370442
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide
CID 135974780
(2R)-3-methyl-2-[3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanoylamino]butanoic acid
CID 136942120
N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
CID 136773410

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanamide (CID 135676905) is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanamide is Cc1cc(NC(=O)CCc2c(C)nc(-c3ccccc3)[nH]c2=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanamide?
The InChIKey is QBBJJZLARWSMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11-10-15(22-25-11)20-16(23)9-8-14-12(2)19-17(21-18(14)24)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,19,21,24)(H,20,22,23).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanamide has a molecular weight of 338.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 135676905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).