(2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide

C22H34N4O3 — CID 97093000

IUPAC(2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@@H]1C(=O)NC1(c2noc(CC3CCCC3)n2)CCCCCC1
InChIInChI=1S/C22H34N4O3/c1-16(27)26-14-8-11-18(26)20(28)24-22(12-6-2-3-7-13-22)21-23-19(29-25-21)15-17-9-4-5-10-17/h17-18H,2-15H2,1H3,(H,24,28)/t18-/m1/s1
InChIKeySBMXJEJKYDMKSL-GOSISDBHSA-N
MW402.54 g/mol
LogP3.48
Rot. Bonds5

About (2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide

(2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide (PubChem CID 97093000) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is (2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide
PubChem CID97093000
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name(2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@@H]1C(=O)NC1(c2noc(CC3CCCC3)n2)CCCCCC1
InChIInChI=1S/C22H34N4O3/c1-16(27)26-14-8-11-18(26)20(28)24-22(12-6-2-3-7-13-22)21-23-19(29-25-21)15-17-9-4-5-10-17/h17-18H,2-15H2,1H3,(H,24,28)/t18-/m1/s1
InChIKeySBMXJEJKYDMKSL-GOSISDBHSA-N
XLogP3.48
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide 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-[4-[5-[[(1R)-3,3-dimethylcyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpiperidin-4-yl]acetamide
CID 99816163
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674474
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]cyclopentanecarboxamide
CID 35781179
N-[1-[5-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide
CID 60573493
3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 43045493
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61351527
N-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 97211544
N-[1-[5-(3-oxo-3-piperazin-1-ylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide
CID 119402321
N-[1-[5-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide;hydrochloride
CID 120571096
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 75376285
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86822640

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide (CID 97093000) is (2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@@H]1C(=O)NC1(c2noc(CC3CCCC3)n2)CCCCCC1.
What is the InChIKey of (2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide?
The InChIKey is SBMXJEJKYDMKSL-GOSISDBHSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-16(27)26-14-8-11-18(26)20(28)24-22(12-6-2-3-7-13-22)21-23-19(29-25-21)15-17-9-4-5-10-17/h17-18H,2-15H2,1H3,(H,24,28)/t18-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide?
(2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 97093000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).