(5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H15FN2O2 — CID 30216146

IUPAC(5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1F)[C@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C17H15FN2O2/c18-14-9-5-4-8-13(14)11-19-17(21)16-10-15(20-22-16)12-6-2-1-3-7-12/h1-9,16H,10-11H2,(H,19,21)/t16-/m1/s1
InChIKeyKHAQKQDEPOBIMR-MRXNPFEDSA-N
MW298.32 g/mol
LogP2.64
Rot. Bonds4

About (5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 30216146) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is (5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID30216146
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name(5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1F)[C@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C17H15FN2O2/c18-14-9-5-4-8-13(14)11-19-17(21)16-10-15(20-22-16)12-6-2-1-3-7-12/h1-9,16H,10-11H2,(H,19,21)/t16-/m1/s1
InChIKeyKHAQKQDEPOBIMR-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

(5S)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 30216143
(5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638542
2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 81369512
(5R)-3-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 129360275
(5S)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503726
N'-(2-naphthalen-1-ylacetyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
CID 55668469
3-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493461
(5S)-3-(4-chlorophenyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51498728
(5S)-N-ethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 93143687
N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 78957069
(5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095185
2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 106107378

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 30216146) is (5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1ccccc1F)[C@H]1CC(c2ccccc2)=NO1.
What is the InChIKey of (5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is KHAQKQDEPOBIMR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-14-9-5-4-8-13(14)11-19-17(21)16-10-15(20-22-16)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-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-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-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 30216146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).