1-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-5-oxopyrrolidine-3-carboxamide

C19H30N4O3 — CID 110627367

IUPAC1-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nnc(C(CC(C)C)NC(=O)C2CC(=O)N(C3CCCCC3)C2)o1
InChIInChI=1S/C19H30N4O3/c1-12(2)9-16(19-22-21-13(3)26-19)20-18(25)14-10-17(24)23(11-14)15-7-5-4-6-8-15/h12,14-16H,4-11H2,1-3H3,(H,20,25)
InChIKeyVIZAYCBLGLVNOM-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.76
Rot. Bonds6

About 1-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-5-oxopyrrolidine-3-carboxamide

1-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 110627367) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID110627367
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name1-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nnc(C(CC(C)C)NC(=O)C2CC(=O)N(C3CCCCC3)C2)o1
InChIInChI=1S/C19H30N4O3/c1-12(2)9-16(19-22-21-13(3)26-19)20-18(25)14-10-17(24)23(11-14)15-7-5-4-6-8-15/h12,14-16H,4-11H2,1-3H3,(H,20,25)
InChIKeyVIZAYCBLGLVNOM-UHFFFAOYSA-N
XLogP2.76
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119585859
N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110288369
methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate
CID 60698316
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119136689
1-cyclopentyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 103799013
tert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate
CID 110627457
1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 110687444
1-cyclopentyl-N-(dicyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71943339
methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate
CID 86977195
1-cyclohexyl-N-(cyclopentylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 110627517
1-cyclopentyl-N-(2-hydroxy-1-phenylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110931202
(2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119364518

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-5-oxopyrrolidine-3-carboxamide (CID 110627367) is 1-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-5-oxopyrrolidine-3-carboxamide is Cc1nnc(C(CC(C)C)NC(=O)C2CC(=O)N(C3CCCCC3)C2)o1.
What is the InChIKey of 1-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VIZAYCBLGLVNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-12(2)9-16(19-22-21-13(3)26-19)20-18(25)14-10-17(24)23(11-14)15-7-5-4-6-8-15/h12,14-16H,4-11H2,1-3H3,(H,20,25).
What are the key properties of 1-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110627367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).