N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

C17H11ClN4O — CID 53053136

IUPACN-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESClc1cccc(Nc2ncnc3c(-c4ccccc4)noc23)c1
InChIInChI=1S/C17H11ClN4O/c18-12-7-4-8-13(9-12)21-17-16-15(19-10-20-17)14(22-23-16)11-5-2-1-3-6-11/h1-10H,(H,19,20,21)
InChIKeyREWSWMJBPBRQDX-UHFFFAOYSA-N
MW322.76 g/mol
LogP4.68
Rot. Bonds3

About N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (PubChem CID 53053136) has the molecular formula C17H11ClN4O and a molecular weight of 322.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
PubChem CID53053136
Molecular FormulaC17H11ClN4O
Molecular Weight322.76 g/mol
Exact Mass322.06
IUPAC NameN-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESClc1cccc(Nc2ncnc3c(-c4ccccc4)noc23)c1
InChIInChI=1S/C17H11ClN4O/c18-12-7-4-8-13(9-12)21-17-16-15(19-10-20-17)14(22-23-16)11-5-2-1-3-6-11/h1-10H,(H,19,20,21)
InChIKeyREWSWMJBPBRQDX-UHFFFAOYSA-N
XLogP4.68
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053132
7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine
CID 53213185
N-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53032717
8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride
CID 12806772
N-(3-chlorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924668
5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053280
3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53209732
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
N-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
CID 175582670
N-(3-chlorophenyl)-6-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10616753
N-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053181
6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 23941005

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (CID 53053136) is N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is Clc1cccc(Nc2ncnc3c(-c4ccccc4)noc23)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is REWSWMJBPBRQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O/c18-12-7-4-8-13(9-12)21-17-16-15(19-10-20-17)14(22-23-16)11-5-2-1-3-6-11/h1-10H,(H,19,20,21).
What are the key properties of N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 322.76 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 53053136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).