N-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide

C16H14FN3O3 — CID 95899844

IUPACN-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C16H14FN3O3/c1-10(18-15(21)12-6-7-22-9-12)16-19-14(20-23-16)8-11-2-4-13(17)5-3-11/h2-7,9-10H,8H2,1H3,(H,18,21)/t10-/m0/s1
InChIKeyQVMFCEUDNZGKKN-JTQLQIEISA-N
MW315.30 g/mol
LogP2.88
Rot. Bonds5

About N-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide

N-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide (PubChem CID 95899844) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is N-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide
PubChem CID95899844
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC NameN-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C16H14FN3O3/c1-10(18-15(21)12-6-7-22-9-12)16-19-14(20-23-16)8-11-2-4-13(17)5-3-11/h2-7,9-10H,8H2,1H3,(H,18,21)/t10-/m0/s1
InChIKeyQVMFCEUDNZGKKN-JTQLQIEISA-N
XLogP2.88
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-carboxamide
CID 122564099
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346122
N-[1-(4-ethylphenyl)ethyl]furan-3-carboxamide
CID 51265005
1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 55202967
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65222625
N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide
CID 54936164
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide
CID 119344366
(1R)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 93259654
N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 96543683
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111840880
N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide
CID 51265265

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide?
The IUPAC name of N-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide (CID 95899844) is N-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide is C[C@H](NC(=O)c1ccoc1)c1nc(Cc2ccc(F)cc2)no1.
What is the InChIKey of N-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide?
The InChIKey is QVMFCEUDNZGKKN-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-10(18-15(21)12-6-7-22-9-12)16-19-14(20-23-16)8-11-2-4-13(17)5-3-11/h2-7,9-10H,8H2,1H3,(H,18,21)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide?
N-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide has a molecular weight of 315.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 95899844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).