trans-(1S,2S)-N-[4-fluoro-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylcyclopropane-1-carboxamide

C18H15FN4O2 — CID 99838258

IUPACtrans-(1S,2S)-N-[4-fluoro-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C18H15FN4O2/c1-10-8-13(10)17(24)21-15-3-2-12(19)9-14(15)18-22-16(23-25-18)11-4-6-20-7-5-11/h2-7,9-10,13H,8H2,1H3,(H,21,24)/t10-,13-/m0/s1
InChIKeyMUTICJQMUXJURR-GWCFXTLKSA-N
MW338.34 g/mol
LogP3.53
Rot. Bonds4

About trans-(1S,2S)-N-[4-fluoro-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[4-fluoro-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 99838258) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is trans-(1S,2S)-N-[4-fluoro-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[4-fluoro-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID99838258
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Nametrans-(1S,2S)-N-[4-fluoro-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C18H15FN4O2/c1-10-8-13(10)17(24)21-15-3-2-12(19)9-14(15)18-22-16(23-25-18)11-4-6-20-7-5-11/h2-7,9-10,13H,8H2,1H3,(H,21,24)/t10-,13-/m0/s1
InChIKeyMUTICJQMUXJURR-GWCFXTLKSA-N
XLogP3.53
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 146525482
cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide
CID 841868
N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 71979004
cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 7777713
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 30331950
(3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 87051969
3,4-dimethoxy-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330830
N-(4-fluorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 22520978
2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329649
N-(2,4-difluorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38764784
2-N-(2,4-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109144128

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[4-fluoro-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[4-fluoro-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylcyclopropane-1-carboxamide (CID 99838258) is trans-(1S,2S)-N-[4-fluoro-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[4-fluoro-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[4-fluoro-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1-c1nc(-c2ccncc2)no1.
What is the InChIKey of trans-(1S,2S)-N-[4-fluoro-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is MUTICJQMUXJURR-GWCFXTLKSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-10-8-13(10)17(24)21-15-3-2-12(19)9-14(15)18-22-16(23-25-18)11-4-6-20-7-5-11/h2-7,9-10,13H,8H2,1H3,(H,21,24)/t10-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[4-fluoro-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[4-fluoro-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[4-fluoro-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 99838258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).