trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide

C14H13F2N3O3 — CID 138050771

IUPACtrans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1nonc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H13F2N3O3/c1-7-12(19-22-18-7)17-13(20)11-6-10(11)8-2-4-9(5-3-8)21-14(15)16/h2-5,10-11,14H,6H2,1H3,(H,17,19,20)/t10-,11+/m0/s1
InChIKeyHZTXZQJHSVXHEE-WDEREUQCSA-N
MW309.27 g/mol
LogP2.72
Rot. Bonds5

About trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 138050771) has the molecular formula C14H13F2N3O3 and a molecular weight of 309.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide
PubChem CID138050771
Molecular FormulaC14H13F2N3O3
Molecular Weight309.27 g/mol
Exact Mass309.09
IUPAC Nametrans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1nonc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H13F2N3O3/c1-7-12(19-22-18-7)17-13(20)11-6-10(11)8-2-4-9(5-3-8)21-14(15)16/h2-5,10-11,14H,6H2,1H3,(H,17,19,20)/t10-,11+/m0/s1
InChIKeyHZTXZQJHSVXHEE-WDEREUQCSA-N
XLogP2.72
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide (CID 138050771) is trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide is Cc1nonc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1.
What is the InChIKey of trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is HZTXZQJHSVXHEE-WDEREUQCSA-N. The full InChI is InChI=1S/C14H13F2N3O3/c1-7-12(19-22-18-7)17-13(20)11-6-10(11)8-2-4-9(5-3-8)21-14(15)16/h2-5,10-11,14H,6H2,1H3,(H,17,19,20)/t10-,11+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 309.27 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 138050771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).