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

C19H15ClN4O — CID 53053212

IUPAC3-(4-chlorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESClc1ccc(-c2noc3c(NCCc4ccccc4)ncnc23)cc1
InChIInChI=1S/C19H15ClN4O/c20-15-8-6-14(7-9-15)16-17-18(25-24-16)19(23-12-22-17)21-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,22,23)
InChIKeyDCVQRHBGPVUTDB-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.59
Rot. Bonds5

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

3-(4-chlorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (PubChem CID 53053212) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
PubChem CID53053212
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name3-(4-chlorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESClc1ccc(-c2noc3c(NCCc4ccccc4)ncnc23)cc1
InChIInChI=1S/C19H15ClN4O/c20-15-8-6-14(7-9-15)16-17-18(25-24-16)19(23-12-22-17)21-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,22,23)
InChIKeyDCVQRHBGPVUTDB-UHFFFAOYSA-N
XLogP4.59
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53032717
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53004087
7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine
CID 53213185
N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053136
3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53209732
3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 95064102
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53043714
3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359527
6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine
CID 118916056
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20873343
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine
CID 133295543
N-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053181

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (CID 53053212) is 3-(4-chlorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is Clc1ccc(-c2noc3c(NCCc4ccccc4)ncnc23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is DCVQRHBGPVUTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c20-15-8-6-14(7-9-15)16-17-18(25-24-16)19(23-12-22-17)21-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,22,23).
What are the key properties of 3-(4-chlorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
3-(4-chlorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 350.81 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 53053212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).