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

C19H16FN3O3 — CID 45153659

IUPACN-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)C1CCCO1
InChIInChI=1S/C19H16FN3O3/c20-14-6-1-5-13(10-14)19-22-17(23-26-19)12-4-2-7-15(11-12)21-18(24)16-8-3-9-25-16/h1-2,4-7,10-11,16H,3,8-9H2,(H,21,24)
InChIKeyPKEBEFOPBSIUOW-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.66
Rot. Bonds4

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

N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide (PubChem CID 45153659) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide
PubChem CID45153659
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC NameN-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)C1CCCO1
InChIInChI=1S/C19H16FN3O3/c20-14-6-1-5-13(10-14)19-22-17(23-26-19)12-4-2-7-15(11-12)21-18(24)16-8-3-9-25-16/h1-2,4-7,10-11,16H,3,8-9H2,(H,21,24)
InChIKeyPKEBEFOPBSIUOW-UHFFFAOYSA-N
XLogP3.66
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120852128
N-[3-[3-(5-bromo-1H-indol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide
CID 166273225
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2961612
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 39854255
N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 35521938
(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide
CID 27234711
N-cyclopentyl-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 46385501
(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396645
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2976279
(2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 7379449

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide (CID 45153659) is N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)C1CCCO1.
What is the InChIKey of N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide?
The InChIKey is PKEBEFOPBSIUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c20-14-6-1-5-13(10-14)19-22-17(23-26-19)12-4-2-7-15(11-12)21-18(24)16-8-3-9-25-16/h1-2,4-7,10-11,16H,3,8-9H2,(H,21,24).
What are the key properties of N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide?
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 45153659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).