[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone

C14H14ClFN2O3 — CID 3158042

IUPAC[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CC(c2c(F)cccc2Cl)=NO1)N1CCOCC1
InChIInChI=1S/C14H14ClFN2O3/c15-9-2-1-3-10(16)13(9)11-8-12(21-17-11)14(19)18-4-6-20-7-5-18/h1-3,12H,4-8H2
InChIKeyNTOBVCCRWBKZFI-UHFFFAOYSA-N
MW312.73 g/mol
LogP1.83
Rot. Bonds2

About [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone

[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 3158042) has the molecular formula C14H14ClFN2O3 and a molecular weight of 312.73 g/mol. Its IUPAC name is [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
PubChem CID3158042
Molecular FormulaC14H14ClFN2O3
Molecular Weight312.73 g/mol
Exact Mass312.07
IUPAC Name[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CC(c2c(F)cccc2Cl)=NO1)N1CCOCC1
InChIInChI=1S/C14H14ClFN2O3/c15-9-2-1-3-10(16)13(9)11-8-12(21-17-11)14(19)18-4-6-20-7-5-18/h1-3,12H,4-8H2
InChIKeyNTOBVCCRWBKZFI-UHFFFAOYSA-N
XLogP1.83
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-(tetrahydro-2-furanylmethyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 2974916
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-2-methylpiperidine
CID 3238468
1-{[3-(2-Chloro-6-fluorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}-4-methylpiperazine
CID 2962184
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-2,6-dimethylpiperidine
CID 3236925
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}piperidine
CID 3241252
[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl](4-methylpiperidin-1-yl)methanone
CID 3235728
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-4-methylpiperazine
CID 9550476
3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2962185
3-(2-chloro-6-fluorophenyl)-N-cyclopentyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158037
3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-4,5-dihydro-5-isoxazolecarboxamide
CID 3158038
3-(2-Chloro-6-fluorophenyl)-5-(1-pyrrolidinylcarbonyl)-4,5-dihydroisoxazole
CID 3158039
3-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 3158041

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (CID 3158042) is [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is O=C(C1CC(c2c(F)cccc2Cl)=NO1)N1CCOCC1.
What is the InChIKey of [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is NTOBVCCRWBKZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O3/c15-9-2-1-3-10(16)13(9)11-8-12(21-17-11)14(19)18-4-6-20-7-5-18/h1-3,12H,4-8H2.
What are the key properties of [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 312.73 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3158042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).