2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide

C22H30ClN5O3 — CID 78826468

IUPAC2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCCCN(CC(=O)NC(=O)NC1CCCCC1C)Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C22H30ClN5O3/c1-3-12-28(13-19(29)25-22(30)24-18-11-7-4-8-15(18)2)14-20-26-27-21(31-20)16-9-5-6-10-17(16)23/h5-6,9-10,15,18H,3-4,7-8,11-14H2,1-2H3,(H2,24,25,29,30)
InChIKeyNGJLNENXUDUIAW-UHFFFAOYSA-N
MW447.97 g/mol
LogP4.01
Rot. Bonds8

About 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide (PubChem CID 78826468) has the molecular formula C22H30ClN5O3 and a molecular weight of 447.97 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
PubChem CID78826468
Molecular FormulaC22H30ClN5O3
Molecular Weight447.97 g/mol
Exact Mass447.20
IUPAC Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCCCN(CC(=O)NC(=O)NC1CCCCC1C)Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C22H30ClN5O3/c1-3-12-28(13-19(29)25-22(30)24-18-11-7-4-8-15(18)2)14-20-26-27-21(31-20)16-9-5-6-10-17(16)23/h5-6,9-10,15,18H,3-4,7-8,11-14H2,1-2H3,(H2,24,25,29,30)
InChIKeyNGJLNENXUDUIAW-UHFFFAOYSA-N
XLogP4.01
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(tert-butylcarbamoyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 78825504
N-(benzylcarbamoyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 78825550
N-(cyclopentylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9370702
N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 9371955
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(4-cyanophenyl)acetamide
CID 112800914
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 78825331
2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-en-1-amine
CID 78826611
propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate
CID 78825656
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 9120378
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8711077
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 78825031
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 78825285

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide (CID 78826468) is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide is CCCN(CC(=O)NC(=O)NC1CCCCC1C)Cc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The InChIKey is NGJLNENXUDUIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN5O3/c1-3-12-28(13-19(29)25-22(30)24-18-11-7-4-8-15(18)2)14-20-26-27-21(31-20)16-9-5-6-10-17(16)23/h5-6,9-10,15,18H,3-4,7-8,11-14H2,1-2H3,(H2,24,25,29,30).
What are the key properties of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide has a molecular weight of 447.97 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide is sourced from PubChem (CID 78826468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).