1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one

C20H27N5O2 — CID 167938312

IUPAC1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one
SMILESCn1ccc([C@@H]2C[C@H]2c2nc(C3CCC(=O)N(CC4CCCC4)C3)no2)n1
InChIInChI=1S/C20H27N5O2/c1-24-9-8-17(22-24)15-10-16(15)20-21-19(23-27-20)14-6-7-18(26)25(12-14)11-13-4-2-3-5-13/h8-9,13-16H,2-7,10-12H2,1H3/t14?,15-,16-/m1/s1
InChIKeyWCFKHIVZJPBDFL-ANGDWKNPSA-N
MW369.47 g/mol
LogP2.97
Rot. Bonds5

About 1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one

1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one (PubChem CID 167938312) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one
PubChem CID167938312
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one
SMILESCn1ccc([C@@H]2C[C@H]2c2nc(C3CCC(=O)N(CC4CCCC4)C3)no2)n1
InChIInChI=1S/C20H27N5O2/c1-24-9-8-17(22-24)15-10-16(15)20-21-19(23-27-20)14-6-7-18(26)25(12-14)11-13-4-2-3-5-13/h8-9,13-16H,2-7,10-12H2,1H3/t14?,15-,16-/m1/s1
InChIKeyWCFKHIVZJPBDFL-ANGDWKNPSA-N
XLogP2.97
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one with MolForge

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Related Compounds

1-(cyclopentylmethyl)-5-[5-[2-(1-methylcyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one
CID 136569617
1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72941264
4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 146136420
(5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97154324
3-cyclopentyl-1-methylpyrazole
CID 23300003
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65198281
(4S)-1-(cyclobutylmethyl)-4-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 164641377
5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one
CID 72892822
1-methoxy-3-[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile
CID 167984827
1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 154782347
(1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 155066792
3-cyclopropyl-5-[2-(2-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazole
CID 71876892

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one?
The IUPAC name of 1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one (CID 167938312) is 1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one.
What is the SMILES notation for 1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one?
The canonical SMILES for 1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one is Cn1ccc([C@@H]2C[C@H]2c2nc(C3CCC(=O)N(CC4CCCC4)C3)no2)n1.
What is the InChIKey of 1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one?
The InChIKey is WCFKHIVZJPBDFL-ANGDWKNPSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-24-9-8-17(22-24)15-10-16(15)20-21-19(23-27-20)14-6-7-18(26)25(12-14)11-13-4-2-3-5-13/h8-9,13-16H,2-7,10-12H2,1H3/t14?,15-,16-/m1/s1.
What are the key properties of 1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one?
1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one has a molecular weight of 369.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one is sourced from PubChem (CID 167938312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).