cis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C18H28N4O3 — CID 133264927

IUPACcis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC(C)c1nc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)no1
InChIInChI=1S/C18H28N4O3/c1-12(2)17-20-15(21-25-17)11-19-16(23)13-7-3-4-8-14(13)18(24)22-9-5-6-10-22/h12-14H,3-11H2,1-2H3,(H,19,23)/t13-,14+/m1/s1
InChIKeyVHWBAXKQUREDJI-KGLIPLIRSA-N
MW348.45 g/mol
LogP2.24
Rot. Bonds5

About cis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

cis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 133264927) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID133264927
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Namecis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC(C)c1nc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)no1
InChIInChI=1S/C18H28N4O3/c1-12(2)17-20-15(21-25-17)11-19-16(23)13-7-3-4-8-14(13)18(24)22-9-5-6-10-22/h12-14H,3-11H2,1-2H3,(H,19,23)/t13-,14+/m1/s1
InChIKeyVHWBAXKQUREDJI-KGLIPLIRSA-N
XLogP2.24
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide
CID 126443974
1-(1,1-dioxothiolan-3-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
CID 118788211
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114183213
trans-(1S,2S)-N-[(3-methyl-2-pyridinyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 96526857
trans-(1R,2R)-N-[(3-methyl-2-pyridinyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 96526858
6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 26391523
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
CID 72899381
2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide
CID 131903974
cis-(1S,2R)-2-[(1S)-5-bromo-1-[(2-oxopyrrolidin-1-yl)methyl]-8-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-N-methylcyclohexane-1-carboxamide
CID 166492676
6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 56760533
3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid
CID 54959196
2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid
CID 61497413

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 133264927) is cis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is CC(C)c1nc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)no1.
What is the InChIKey of cis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is VHWBAXKQUREDJI-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-12(2)17-20-15(21-25-17)11-19-16(23)13-7-3-4-8-14(13)18(24)22-9-5-6-10-22/h12-14H,3-11H2,1-2H3,(H,19,23)/t13-,14+/m1/s1.
What are the key properties of cis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
cis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 133264927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).