N-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide

C20H21ClN4O3 — CID 4917164

IUPACN-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide
SMILESO=C(Nc1nonc1NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Cl
InChIInChI=1S/C20H21ClN4O3/c21-15-4-2-1-3-14(15)18(26)22-16-17(25-28-24-16)23-19(27)20-8-11-5-12(9-20)7-13(6-11)10-20/h1-4,11-13H,5-10H2,(H,22,24,26)(H,23,25,27)
InChIKeyRSRHFKNHISHRPU-UHFFFAOYSA-N
MW400.87 g/mol
LogP4.13
Rot. Bonds4

About N-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide

N-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide (PubChem CID 4917164) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide
PubChem CID4917164
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC NameN-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide
SMILESO=C(Nc1nonc1NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Cl
InChIInChI=1S/C20H21ClN4O3/c21-15-4-2-1-3-14(15)18(26)22-16-17(25-28-24-16)23-19(27)20-8-11-5-12(9-20)7-13(6-11)10-20/h1-4,11-13H,5-10H2,(H,22,24,26)(H,23,25,27)
InChIKeyRSRHFKNHISHRPU-UHFFFAOYSA-N
XLogP4.13
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide 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-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide (CID 4917164) is N-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide is O=C(Nc1nonc1NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Cl.
What is the InChIKey of N-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide?
The InChIKey is RSRHFKNHISHRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c21-15-4-2-1-3-14(15)18(26)22-16-17(25-28-24-16)23-19(27)20-8-11-5-12(9-20)7-13(6-11)10-20/h1-4,11-13H,5-10H2,(H,22,24,26)(H,23,25,27).
What are the key properties of N-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide?
N-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 4917164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).