6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one

C20H19N3O2 — CID 141488030

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)NC(=O)N2C
InChIInChI=1S/C20H19N3O2/c1-12-18(13(2)25-22-12)15-9-10-17-16(11-15)19(21-20(24)23(17)3)14-7-5-4-6-8-14/h4-11,19H,1-3H3,(H,21,24)
InChIKeyXFBRDTMFVAACDR-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.21
Rot. Bonds2

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one (PubChem CID 141488030) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one
PubChem CID141488030
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)NC(=O)N2C
InChIInChI=1S/C20H19N3O2/c1-12-18(13(2)25-22-12)15-9-10-17-16(11-15)19(21-20(24)23(17)3)14-7-5-4-6-8-14/h4-11,19H,1-3H3,(H,21,24)
InChIKeyXFBRDTMFVAACDR-UHFFFAOYSA-N
XLogP4.21
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-(3,5-dimethylphenyl)-N'-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]urea
CID 2738199
1-Cycloheptyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10622585
6-(3,5-Dimethyl-isoxazol-4-yl)-3-methyl-4-phenyl-3,4-dihydro-1H-quinazolin-2-one
CID 86273096
6-(3,5-Dimethylisoxazol-4-yl)-3-[(1-methyl-4-piperidyl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one
CID 86273098
6-(3,5-Dimethyl-isoxazol-4-yl)-3,4-dimethyl-4-phenyl-3,4-dihydro-1H-quinazolin-2-one
CID 86273586
4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-quinolin-2-one
CID 121342355
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]butyl]-1-methyl-4-phenyl-4H-quinazolin-2-one
CID 141488032
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]hexyl]-1-methyl-4-phenyl-4H-quinazolin-2-one
CID 162646302
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]pentyl]-1-methyl-4-phenyl-4H-quinazolin-2-one
CID 162651921
4-(benzylamino)-6-(3,5-dimethylisoxazol-4-yl)quinolin-2(1H)-one
CID 117625006
1(R)-4-benzyl-6-(3,5-dimethylisoxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2(1H)-one (5a)
CID 122164729
4-(2,4-dimethylphenyl)-N-[(5-methyl-1,2-benzoxazol-3-yl)methyl]piperazine-1-carboxamide
CID 16019437

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one (CID 141488030) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)NC(=O)N2C.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one?
The InChIKey is XFBRDTMFVAACDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12-18(13(2)25-22-12)15-9-10-17-16(11-15)19(21-20(24)23(17)3)14-7-5-4-6-8-14/h4-11,19H,1-3H3,(H,21,24).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one has a molecular weight of 333.39 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 141488030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).