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

C18H13ClN4O — CID 24856200

IUPAC3-(3-chlorophenyl)-N-(3-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cccc(Nc2ncnc3onc(-c4cccc(Cl)c4)c23)c1
InChIInChI=1S/C18H13ClN4O/c1-11-4-2-7-14(8-11)22-17-15-16(12-5-3-6-13(19)9-12)23-24-18(15)21-10-20-17/h2-10H,1H3,(H,20,21,22)
InChIKeyZOENQBBGSIOLSK-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.99
Rot. Bonds3

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

3-(3-chlorophenyl)-N-(3-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 24856200) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(3-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(3-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID24856200
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name3-(3-chlorophenyl)-N-(3-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cccc(Nc2ncnc3onc(-c4cccc(Cl)c4)c23)c1
InChIInChI=1S/C18H13ClN4O/c1-11-4-2-7-14(8-11)22-17-15-16(12-5-3-6-13(19)9-12)23-24-18(15)21-10-20-17/h2-10H,1H3,(H,20,21,22)
InChIKeyZOENQBBGSIOLSK-UHFFFAOYSA-N
XLogP4.99
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(3-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-(3-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 24856200) is 3-(3-chlorophenyl)-N-(3-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(3-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-(3-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1cccc(Nc2ncnc3onc(-c4cccc(Cl)c4)c23)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(3-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZOENQBBGSIOLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c1-11-4-2-7-14(8-11)22-17-15-16(12-5-3-6-13(19)9-12)23-24-18(15)21-10-20-17/h2-10H,1H3,(H,20,21,22).
What are the key properties of 3-(3-chlorophenyl)-N-(3-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(3-chlorophenyl)-N-(3-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 336.78 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(3-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24856200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).