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

C18H11ClF2N4O — CID 46359470

IUPACN-[(4-chlorophenyl)methyl]-3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1cc(F)cc(-c2noc3ncnc(NCc4ccc(Cl)cc4)c23)c1
InChIInChI=1S/C18H11ClF2N4O/c19-12-3-1-10(2-4-12)8-22-17-15-16(25-26-18(15)24-9-23-17)11-5-13(20)7-14(21)6-11/h1-7,9H,8H2,(H,22,23,24)
InChIKeyPMVIDVORQCUKST-UHFFFAOYSA-N
MW372.76 g/mol
LogP4.83
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 46359470) has the molecular formula C18H11ClF2N4O and a molecular weight of 372.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID46359470
Molecular FormulaC18H11ClF2N4O
Molecular Weight372.76 g/mol
Exact Mass372.06
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1cc(F)cc(-c2noc3ncnc(NCc4ccc(Cl)cc4)c23)c1
InChIInChI=1S/C18H11ClF2N4O/c19-12-3-1-10(2-4-12)8-22-17-15-16(25-26-18(15)24-9-23-17)11-5-13(20)7-14(21)6-11/h1-7,9H,8H2,(H,22,23,24)
InChIKeyPMVIDVORQCUKST-UHFFFAOYSA-N
XLogP4.83
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-chlorophenyl)methyl]-3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 46359470) is N-[(4-chlorophenyl)methyl]-3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Fc1cc(F)cc(-c2noc3ncnc(NCc4ccc(Cl)cc4)c23)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is PMVIDVORQCUKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N4O/c19-12-3-1-10(2-4-12)8-22-17-15-16(25-26-18(15)24-9-23-17)11-5-13(20)7-14(21)6-11/h1-7,9H,8H2,(H,22,23,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[(4-chlorophenyl)methyl]-3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 372.76 g/mol, XLogP of 4.83, 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-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 46359470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).