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

C15H19FN2O3 — CID 100815902

IUPAC(5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOCCCNC(=O)[C@]1(C)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C15H19FN2O3/c1-15(14(19)17-8-3-9-20-2)10-13(18-21-15)11-4-6-12(16)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeyFAOOWRQFSPDZRQ-HNNXBMFYSA-N
MW294.33 g/mol
LogP1.86
Rot. Bonds6

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

(5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 100815902) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID100815902
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOCCCNC(=O)[C@]1(C)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C15H19FN2O3/c1-15(14(19)17-8-3-9-20-2)10-13(18-21-15)11-4-6-12(16)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeyFAOOWRQFSPDZRQ-HNNXBMFYSA-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
(5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465411
(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815919
(5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815699
(5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide
CID 100815912
(5S)-5-methyl-3-phenyl-N-(2-phenylethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465490
(5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815883
3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 102551797
(5R)-3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 100815723
(5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide
CID 97465778
3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 102551800
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)acetamide
CID 16878767

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 100815902) is (5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is COCCCNC(=O)[C@]1(C)CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of (5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is FAOOWRQFSPDZRQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-15(14(19)17-8-3-9-20-2)10-13(18-21-15)11-4-6-12(16)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,17,19)/t15-/m0/s1.
What are the key properties of (5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
(5S)-3-(4-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 (5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 100815902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).