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

C24H17ClN4O2 — CID 163322714

IUPACN-[4-[(4-chlorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESClc1ccc(COc2ccc(Nc3ncnc4onc(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C24H17ClN4O2/c25-18-8-6-16(7-9-18)14-30-20-12-10-19(11-13-20)28-23-21-22(17-4-2-1-3-5-17)29-31-24(21)27-15-26-23/h1-13,15H,14H2,(H,26,27,28)
InChIKeyVRLCNDICZJCRAY-UHFFFAOYSA-N
MW428.88 g/mol
LogP6.26
Rot. Bonds6

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

N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 163322714) has the molecular formula C24H17ClN4O2 and a molecular weight of 428.88 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID163322714
Molecular FormulaC24H17ClN4O2
Molecular Weight428.88 g/mol
Exact Mass428.10
IUPAC NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESClc1ccc(COc2ccc(Nc3ncnc4onc(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C24H17ClN4O2/c25-18-8-6-16(7-9-18)14-30-20-12-10-19(11-13-20)28-23-21-22(17-4-2-1-3-5-17)29-31-24(21)27-15-26-23/h1-13,15H,14H2,(H,26,27,28)
InChIKeyVRLCNDICZJCRAY-UHFFFAOYSA-N
XLogP6.26
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.88
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-Aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-chlorophenyl)urea
CID 10317604
3-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl][1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 16009414
3-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl][1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 16009415
3-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 16009421
3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl][1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 16009422
3-(4-Chlorophenyl)-N-({1-[(4-chlorophenyl)methyl]piperidin-4-YL}methyl)-[1,2]oxazolo[5,4-D]pyrimidin-4-amine
CID 16009442
N-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 16023248
3-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 16023382
N-[(2-ethoxyphenyl)methyl]-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 16023670
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 20924832
3-(2-methoxyphenyl)-N-(3-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 24818150
3-(3-chlorophenyl)-N-(3-methylphenyl)[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 24856200

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 163322714) is N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Clc1ccc(COc2ccc(Nc3ncnc4onc(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is VRLCNDICZJCRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O2/c25-18-8-6-16(7-9-18)14-30-20-12-10-19(11-13-20)28-23-21-22(17-4-2-1-3-5-17)29-31-24(21)27-15-26-23/h1-13,15H,14H2,(H,26,27,28).
What are the key properties of N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 428.88 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 163322714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).