(5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

C15H19FN2O3 — CID 97465411

IUPAC(5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOCCCNC(=O)[C@@]1(C)CC(c2ccccc2F)=NO1
InChIInChI=1S/C15H19FN2O3/c1-15(14(19)17-8-5-9-20-2)10-13(18-21-15)11-6-3-4-7-12(11)16/h3-4,6-7H,5,8-10H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyYOBFMYJCTBULML-OAHLLOKOSA-N
MW294.33 g/mol
LogP1.86
Rot. Bonds6

About (5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

(5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465411) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID97465411
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOCCCNC(=O)[C@@]1(C)CC(c2ccccc2F)=NO1
InChIInChI=1S/C15H19FN2O3/c1-15(14(19)17-8-5-9-20-2)10-13(18-21-15)11-6-3-4-7-12(11)16/h3-4,6-7H,5,8-10H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyYOBFMYJCTBULML-OAHLLOKOSA-N
XLogP1.86
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465461
(5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815902
3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91945847
3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide
CID 91957305
(5R)-3-(2-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide
CID 51498730
(5S)-3-(2-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 51497722
(5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide
CID 97465838
(5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465304
(5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465267
1-(2-fluorophenyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
CID 110438277
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91946284
(5S)-5-methyl-3-phenyl-N-(2-phenylethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465490

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 97465411) is (5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is COCCCNC(=O)[C@@]1(C)CC(c2ccccc2F)=NO1.
What is the InChIKey of (5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is YOBFMYJCTBULML-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-15(14(19)17-8-5-9-20-2)10-13(18-21-15)11-6-3-4-7-12(11)16/h3-4,6-7H,5,8-10H2,1-2H3,(H,17,19)/t15-/m1/s1.
What are the key properties of (5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
(5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).