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

C15H19FN2O2 — CID 100815883

IUPAC(5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)[C@]1(C)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C15H19FN2O2/c1-4-18(5-2)14(19)15(3)10-13(17-20-15)11-6-8-12(16)9-7-11/h6-9H,4-5,10H2,1-3H3/t15-/m0/s1
InChIKeyDOGVPODDXITCQX-HNNXBMFYSA-N
MW278.33 g/mol
LogP2.58
Rot. Bonds4

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

(5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 100815883) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID100815883
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)[C@]1(C)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C15H19FN2O2/c1-4-18(5-2)14(19)15(3)10-13(17-20-15)11-6-8-12(16)9-7-11/h6-9H,4-5,10H2,1-3H3/t15-/m0/s1
InChIKeyDOGVPODDXITCQX-HNNXBMFYSA-N
XLogP2.58
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465707
(5R)-3-(4-fluorophenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
CID 100815886
(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815919
(5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465601
(5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815699
[3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 102551798
[(5S)-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 100815726
3-(4-fluorophenyl)-5-methyl-N-(1-methylpyrazol-3-yl)-4H-1,2-oxazole-5-carboxamide
CID 102551864
(5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815902
(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 102551802
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 100815735
3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 102551797

Frequently Asked Questions

What is the IUPAC name of (5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 100815883) is (5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is CCN(CC)C(=O)[C@]1(C)CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of (5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is DOGVPODDXITCQX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-4-18(5-2)14(19)15(3)10-13(17-20-15)11-6-8-12(16)9-7-11/h6-9H,4-5,10H2,1-3H3/t15-/m0/s1.
What are the key properties of (5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
(5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 100815883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).