cis-(1R,2S)-2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclohexane-1-carboxamide

C17H26N4O3 — CID 129380545

IUPACcis-(1R,2S)-2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclohexane-1-carboxamide
SMILESNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCc1nc(C2CCCC2)no1
InChIInChI=1S/C17H26N4O3/c18-16(23)12-7-3-4-8-13(12)19-14(22)9-10-15-20-17(21-24-15)11-5-1-2-6-11/h11-13H,1-10H2,(H2,18,23)(H,19,22)/t12-,13+/m1/s1
InChIKeyLULXDRHVCDNYGT-OLZOCXBDSA-N
MW334.42 g/mol
LogP1.82
Rot. Bonds6

About cis-(1R,2S)-2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclohexane-1-carboxamide

cis-(1R,2S)-2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclohexane-1-carboxamide (PubChem CID 129380545) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is cis-(1R,2S)-2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclohexane-1-carboxamide
PubChem CID129380545
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Namecis-(1R,2S)-2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclohexane-1-carboxamide
SMILESNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCc1nc(C2CCCC2)no1
InChIInChI=1S/C17H26N4O3/c18-16(23)12-7-3-4-8-13(12)19-14(22)9-10-15-20-17(21-24-15)11-5-1-2-6-11/h11-13H,1-10H2,(H2,18,23)(H,19,22)/t12-,13+/m1/s1
InChIKeyLULXDRHVCDNYGT-OLZOCXBDSA-N
XLogP1.82
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclohexane-1-carboxamide (CID 129380545) is cis-(1R,2S)-2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclohexane-1-carboxamide is NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCc1nc(C2CCCC2)no1.
What is the InChIKey of cis-(1R,2S)-2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclohexane-1-carboxamide?
The InChIKey is LULXDRHVCDNYGT-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H26N4O3/c18-16(23)12-7-3-4-8-13(12)19-14(22)9-10-15-20-17(21-24-15)11-5-1-2-6-11/h11-13H,1-10H2,(H2,18,23)(H,19,22)/t12-,13+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclohexane-1-carboxamide?
cis-(1R,2S)-2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclohexane-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 129380545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).