3-(4-chlorophenyl)-N-methyl-N-(2-phenylquinazolin-4-yl)-1,2-oxazol-5-amine

C24H17ClN4O — CID 141435836

IUPAC3-(4-chlorophenyl)-N-methyl-N-(2-phenylquinazolin-4-yl)-1,2-oxazol-5-amine
SMILESCN(c1cc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H17ClN4O/c1-29(22-15-21(28-30-22)16-11-13-18(25)14-12-16)24-19-9-5-6-10-20(19)26-23(27-24)17-7-3-2-4-8-17/h2-15H,1H3
InChIKeyUYYXXUNTIRIWEU-UHFFFAOYSA-N
MW412.88 g/mol
LogP6.37
Rot. Bonds4

About 3-(4-chlorophenyl)-N-methyl-N-(2-phenylquinazolin-4-yl)-1,2-oxazol-5-amine

3-(4-chlorophenyl)-N-methyl-N-(2-phenylquinazolin-4-yl)-1,2-oxazol-5-amine (PubChem CID 141435836) has the molecular formula C24H17ClN4O and a molecular weight of 412.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-methyl-N-(2-phenylquinazolin-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-methyl-N-(2-phenylquinazolin-4-yl)-1,2-oxazol-5-amine
PubChem CID141435836
Molecular FormulaC24H17ClN4O
Molecular Weight412.88 g/mol
Exact Mass412.11
IUPAC Name3-(4-chlorophenyl)-N-methyl-N-(2-phenylquinazolin-4-yl)-1,2-oxazol-5-amine
SMILESCN(c1cc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H17ClN4O/c1-29(22-15-21(28-30-22)16-11-13-18(25)14-12-16)24-19-9-5-6-10-20(19)26-23(27-24)17-7-3-2-4-8-17/h2-15H,1H3
InChIKeyUYYXXUNTIRIWEU-UHFFFAOYSA-N
XLogP6.37
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.88
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine
CID 899344
N-methyl-N,2-diphenylquinazolin-4-amine
CID 10358104
N,N-dimethyl-2-phenylquinazolin-4-amine;ethane
CID 90692707
2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol
CID 23988114
4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
CID 167485118
2-(3,4-dimethoxyphenyl)-N,N-dimethylquinazolin-4-amine
CID 132524311
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
3-(4-chlorophenyl)-5-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)oxymethyl]-1,2-oxazole
CID 123676741
2-[4-(diethylamino)phenyl]-N,N-dimethylquinazolin-4-amine
CID 130369805
N,N,N'-trimethyl-N'-(2-phenylquinazolin-4-yl)ethane-1,2-diamine
CID 56670000
2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine
CID 22997395
N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963147

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-methyl-N-(2-phenylquinazolin-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-methyl-N-(2-phenylquinazolin-4-yl)-1,2-oxazol-5-amine (CID 141435836) is 3-(4-chlorophenyl)-N-methyl-N-(2-phenylquinazolin-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-methyl-N-(2-phenylquinazolin-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-methyl-N-(2-phenylquinazolin-4-yl)-1,2-oxazol-5-amine is CN(c1cc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 3-(4-chlorophenyl)-N-methyl-N-(2-phenylquinazolin-4-yl)-1,2-oxazol-5-amine?
The InChIKey is UYYXXUNTIRIWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O/c1-29(22-15-21(28-30-22)16-11-13-18(25)14-12-16)24-19-9-5-6-10-20(19)26-23(27-24)17-7-3-2-4-8-17/h2-15H,1H3.
What are the key properties of 3-(4-chlorophenyl)-N-methyl-N-(2-phenylquinazolin-4-yl)-1,2-oxazol-5-amine?
3-(4-chlorophenyl)-N-methyl-N-(2-phenylquinazolin-4-yl)-1,2-oxazol-5-amine has a molecular weight of 412.88 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-methyl-N-(2-phenylquinazolin-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 141435836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).