N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide

C16H16FNO3 — CID 94633539

IUPACN-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
SMILESO=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccco1
InChIInChI=1S/C16H16FNO3/c17-12-7-5-11(6-8-12)15(13-3-1-9-20-13)18-16(19)14-4-2-10-21-14/h2,4-8,10,13,15H,1,3,9H2,(H,18,19)/t13-,15+/m1/s1
InChIKeyUFKNXUQFIKSVHK-HIFRSBDPSA-N
MW289.31 g/mol
LogP3.07
Rot. Bonds4

About N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide

N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide (PubChem CID 94633539) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
PubChem CID94633539
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
SMILESO=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccco1
InChIInChI=1S/C16H16FNO3/c17-12-7-5-11(6-8-12)15(13-3-1-9-20-13)18-16(19)14-4-2-10-21-14/h2,4-8,10,13,15H,1,3,9H2,(H,18,19)/t13-,15+/m1/s1
InChIKeyUFKNXUQFIKSVHK-HIFRSBDPSA-N
XLogP3.07
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]furan-2-carboxamide
CID 51951454
cis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 124743427
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75479531
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 97018110
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-morpholin-4-ylbenzamide
CID 95047787
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(furan-3-ylmethyl)urea
CID 94666581
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167985470
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide
CID 94633633
(5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95163432
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 75404517

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide (CID 94633539) is N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide is O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccco1.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide?
The InChIKey is UFKNXUQFIKSVHK-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H16FNO3/c17-12-7-5-11(6-8-12)15(13-3-1-9-20-13)18-16(19)14-4-2-10-21-14/h2,4-8,10,13,15H,1,3,9H2,(H,18,19)/t13-,15+/m1/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide?
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 94633539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).