N-(4-fluorophenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboxamide

C19H16FN3O2 — CID 172890736

IUPACN-(4-fluorophenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(-c2nnc(C3(C(=O)Nc4ccc(F)cc4)CC3)o2)cc1
InChIInChI=1S/C19H16FN3O2/c1-12-2-4-13(5-3-12)16-22-23-18(25-16)19(10-11-19)17(24)21-15-8-6-14(20)7-9-15/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyWHJWDSOSJYKSEE-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.85
Rot. Bonds4

About N-(4-fluorophenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboxamide

N-(4-fluorophenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 172890736) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID172890736
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-(4-fluorophenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(-c2nnc(C3(C(=O)Nc4ccc(F)cc4)CC3)o2)cc1
InChIInChI=1S/C19H16FN3O2/c1-12-2-4-13(5-3-12)16-22-23-18(25-16)19(10-11-19)17(24)21-15-8-6-14(20)7-9-15/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyWHJWDSOSJYKSEE-UHFFFAOYSA-N
XLogP3.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 172890629
N-(4-fluorophenyl)-1-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboxamide
CID 172890789
(2S)-N-(4-fluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7556817
1-[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 172890600
4-(4-fluorophenyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]oxane-4-carboxamide
CID 49422466
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
N-(4-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334045
1-(4-fluorophenyl)-N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide
CID 122284748
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456693

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboxamide (CID 172890736) is N-(4-fluorophenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboxamide is Cc1ccc(-c2nnc(C3(C(=O)Nc4ccc(F)cc4)CC3)o2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is WHJWDSOSJYKSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-12-2-4-13(5-3-12)16-22-23-18(25-16)19(10-11-19)17(24)21-15-8-6-14(20)7-9-15/h2-9H,10-11H2,1H3,(H,21,24).
What are the key properties of N-(4-fluorophenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboxamide?
N-(4-fluorophenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 172890736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).