trans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide

C18H23N3O2S — CID 98799539

IUPACtrans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2nc(C3CCCC3)no2)s1
InChIInChI=1S/C18H23N3O2S/c1-10-7-8-15(24-10)13-9-14(13)17(22)19-11(2)18-20-16(21-23-18)12-5-3-4-6-12/h7-8,11-14H,3-6,9H2,1-2H3,(H,19,22)/t11-,13-,14-/m1/s1
InChIKeyXYRNPNFLVXPCSS-MRVWCRGKSA-N
MW345.47 g/mol
LogP4.08
Rot. Bonds5

About trans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide (PubChem CID 98799539) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
PubChem CID98799539
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Nametrans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2nc(C3CCCC3)no2)s1
InChIInChI=1S/C18H23N3O2S/c1-10-7-8-15(24-10)13-9-14(13)17(22)19-11(2)18-20-16(21-23-18)12-5-3-4-6-12/h7-8,11-14H,3-6,9H2,1-2H3,(H,19,22)/t11-,13-,14-/m1/s1
InChIKeyXYRNPNFLVXPCSS-MRVWCRGKSA-N
XLogP4.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide (CID 98799539) is trans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide is Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2nc(C3CCCC3)no2)s1.
What is the InChIKey of trans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The InChIKey is XYRNPNFLVXPCSS-MRVWCRGKSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-10-7-8-15(24-10)13-9-14(13)17(22)19-11(2)18-20-16(21-23-18)12-5-3-4-6-12/h7-8,11-14H,3-6,9H2,1-2H3,(H,19,22)/t11-,13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 98799539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).