3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine

C17H16Cl2N4O — CID 121384128

IUPAC3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine
SMILESCc1noc(C)c1-c1cnc(N)c(NCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H16Cl2N4O/c1-9-16(10(2)24-23-9)12-6-15(17(20)22-8-12)21-7-11-3-4-13(18)14(19)5-11/h3-6,8,21H,7H2,1-2H3,(H2,20,22)
InChIKeyJKDVWFBZVRAKPR-UHFFFAOYSA-N
MW363.25 g/mol
LogP4.85
Rot. Bonds4

About 3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine

3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine (PubChem CID 121384128) has the molecular formula C17H16Cl2N4O and a molecular weight of 363.25 g/mol. Its IUPAC name is 3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine
PubChem CID121384128
Molecular FormulaC17H16Cl2N4O
Molecular Weight363.25 g/mol
Exact Mass362.07
IUPAC Name3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine
SMILESCc1noc(C)c1-c1cnc(N)c(NCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H16Cl2N4O/c1-9-16(10(2)24-23-9)12-6-15(17(20)22-8-12)21-7-11-3-4-13(18)14(19)5-11/h3-6,8,21H,7H2,1-2H3,(H2,20,22)
InChIKeyJKDVWFBZVRAKPR-UHFFFAOYSA-N
XLogP4.85
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine 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 3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine?
The IUPAC name of 3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine (CID 121384128) is 3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine is Cc1noc(C)c1-c1cnc(N)c(NCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine?
The InChIKey is JKDVWFBZVRAKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O/c1-9-16(10(2)24-23-9)12-6-15(17(20)22-8-12)21-7-11-3-4-13(18)14(19)5-11/h3-6,8,21H,7H2,1-2H3,(H2,20,22).
What are the key properties of 3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine?
3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine has a molecular weight of 363.25 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3,4-dichlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2,3-diamine is sourced from PubChem (CID 121384128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).