(5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide

C17H17FN2O3 — CID 97465772

IUPAC(5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide
SMILESCc1ccc(CNC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)o1
InChIInChI=1S/C17H17FN2O3/c1-11-6-7-14(22-11)10-19-16(21)17(2)9-15(20-23-17)12-4-3-5-13(18)8-12/h3-8H,9-10H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyXHKWULXNBXMXKK-KRWDZBQOSA-N
MW316.33 g/mol
LogP2.93
Rot. Bonds4

About (5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide

(5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465772) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is (5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide
PubChem CID97465772
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name(5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide
SMILESCc1ccc(CNC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)o1
InChIInChI=1S/C17H17FN2O3/c1-11-6-7-14(22-11)10-19-16(21)17(2)9-15(20-23-17)12-4-3-5-13(18)8-12/h3-8H,9-10H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyXHKWULXNBXMXKK-KRWDZBQOSA-N
XLogP2.93
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide (CID 97465772) is (5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide is Cc1ccc(CNC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)o1.
What is the InChIKey of (5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide?
The InChIKey is XHKWULXNBXMXKK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-11-6-7-14(22-11)10-19-16(21)17(2)9-15(20-23-17)12-4-3-5-13(18)8-12/h3-8H,9-10H2,1-2H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide?
(5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).