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

C18H13ClN4O — CID 53032717

IUPACN-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESClc1ccc(CNc2ncnc3c(-c4ccccc4)noc23)cc1
InChIInChI=1S/C18H13ClN4O/c19-14-8-6-12(7-9-14)10-20-18-17-16(21-11-22-18)15(23-24-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21,22)
InChIKeyRPNZXKSPQNTIRJ-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.55
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (PubChem CID 53032717) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
PubChem CID53032717
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC NameN-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESClc1ccc(CNc2ncnc3c(-c4ccccc4)noc23)cc1
InChIInChI=1S/C18H13ClN4O/c19-14-8-6-12(7-9-14)10-20-18-17-16(21-11-22-18)15(23-24-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21,22)
InChIKeyRPNZXKSPQNTIRJ-UHFFFAOYSA-N
XLogP4.55
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (CID 53032717) is N-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is Clc1ccc(CNc2ncnc3c(-c4ccccc4)noc23)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is RPNZXKSPQNTIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c19-14-8-6-12(7-9-14)10-20-18-17-16(21-11-22-18)15(23-24-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
N-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 336.78 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 53032717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).