N-[(2-chlorophenyl)methyl]-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]propanamide

C19H19ClN4O3 — CID 11200034

IUPACN-[(2-chlorophenyl)methyl]-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
SMILESCOc1ccccc1-c1nnc(NCCC(=O)NCc2ccccc2Cl)o1
InChIInChI=1S/C19H19ClN4O3/c1-26-16-9-5-3-7-14(16)18-23-24-19(27-18)21-11-10-17(25)22-12-13-6-2-4-8-15(13)20/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyYIDVUNSEIGNKBB-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.52
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]propanamide

N-[(2-chlorophenyl)methyl]-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]propanamide (PubChem CID 11200034) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
PubChem CID11200034
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
SMILESCOc1ccccc1-c1nnc(NCCC(=O)NCc2ccccc2Cl)o1
InChIInChI=1S/C19H19ClN4O3/c1-26-16-9-5-3-7-14(16)18-23-24-19(27-18)21-11-10-17(25)22-12-13-6-2-4-8-15(13)20/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyYIDVUNSEIGNKBB-UHFFFAOYSA-N
XLogP3.52
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2-chlorophenyl)methyl]-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]propanamide 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-[(2-chlorophenyl)methyl]-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]propanamide (CID 11200034) is N-[(2-chlorophenyl)methyl]-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]propanamide is COc1ccccc1-c1nnc(NCCC(=O)NCc2ccccc2Cl)o1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]propanamide?
The InChIKey is YIDVUNSEIGNKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-26-16-9-5-3-7-14(16)18-23-24-19(27-18)21-11-10-17(25)22-12-13-6-2-4-8-15(13)20/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]propanamide?
N-[(2-chlorophenyl)methyl]-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]propanamide has a molecular weight of 386.84 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]propanamide is sourced from PubChem (CID 11200034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).