(5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H15FN2O2 — CID 40638542

IUPAC(5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CC(c2ccccc2F)=NO1
InChIInChI=1S/C17H15FN2O2/c18-14-9-5-4-8-13(14)15-10-16(22-20-15)17(21)19-11-12-6-2-1-3-7-12/h1-9,16H,10-11H2,(H,19,21)/t16-/m1/s1
InChIKeyBBLBTDRFAASEPE-MRXNPFEDSA-N
MW298.32 g/mol
LogP2.64
Rot. Bonds4

About (5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 40638542) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is (5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID40638542
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name(5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CC(c2ccccc2F)=NO1
InChIInChI=1S/C17H15FN2O2/c18-14-9-5-4-8-13(14)15-10-16(22-20-15)17(21)19-11-12-6-2-1-3-7-12/h1-9,16H,10-11H2,(H,19,21)/t16-/m1/s1
InChIKeyBBLBTDRFAASEPE-MRXNPFEDSA-N
XLogP2.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-3-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638550
(5S)-N-ethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 93143687
3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 20869153
N-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095813
(5S)-N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638425
(5S)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 30216143
(5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 30216146
3-(2-fluorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 20869151
N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3241275
(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966214
(5R)-3-(2,5-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 99807157
(5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638531

Frequently Asked Questions

What is the IUPAC name of (5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 40638542) is (5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1ccccc1)[C@H]1CC(c2ccccc2F)=NO1.
What is the InChIKey of (5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is BBLBTDRFAASEPE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-14-9-5-4-8-13(14)15-10-16(22-20-15)17(21)19-11-12-6-2-1-3-7-12/h1-9,16H,10-11H2,(H,19,21)/t16-/m1/s1.
What are the key properties of (5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 40638542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).