2-amino-1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-phenylethanone

C18H14ClFN2O2 — CID 141067594

IUPAC2-amino-1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-phenylethanone
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)C(N)c1ccccc1
InChIInChI=1S/C18H14ClFN2O2/c1-10-14(18(23)16(21)11-6-3-2-4-7-11)17(22-24-10)15-12(19)8-5-9-13(15)20/h2-9,16H,21H2,1H3
InChIKeyJWAMTHFQJXAFTO-UHFFFAOYSA-N
MW344.77 g/mol
LogP4.33
Rot. Bonds4

About 2-amino-1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-phenylethanone

2-amino-1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-phenylethanone (PubChem CID 141067594) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is 2-amino-1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-phenylethanone
PubChem CID141067594
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC Name2-amino-1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-phenylethanone
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)C(N)c1ccccc1
InChIInChI=1S/C18H14ClFN2O2/c1-10-14(18(23)16(21)11-6-3-2-4-7-11)17(22-24-10)15-12(19)8-5-9-13(15)20/h2-9,16H,21H2,1H3
InChIKeyJWAMTHFQJXAFTO-UHFFFAOYSA-N
XLogP4.33
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
CID 51279290
[2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-2-phenylethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 5185075
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-hydroxyphenyl)methanone
CID 2805212
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone
CID 2805168
N-[(2S)-1-aminopropan-2-yl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 120506272
3-(2-chloro-6-fluorophenyl)-N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2812891
[(E)-[amino-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylidene]amino] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 6293797
3-(2-chloro-6-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 5223953
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209694
3-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129473
N-(3-amino-2-methylpropyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119996847

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-phenylethanone?
The IUPAC name of 2-amino-1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-phenylethanone (CID 141067594) is 2-amino-1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-phenylethanone.
What is the SMILES notation for 2-amino-1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-phenylethanone?
The canonical SMILES for 2-amino-1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-phenylethanone is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)C(N)c1ccccc1.
What is the InChIKey of 2-amino-1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-phenylethanone?
The InChIKey is JWAMTHFQJXAFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c1-10-14(18(23)16(21)11-6-3-2-4-7-11)17(22-24-10)15-12(19)8-5-9-13(15)20/h2-9,16H,21H2,1H3.
What are the key properties of 2-amino-1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-phenylethanone?
2-amino-1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-phenylethanone has a molecular weight of 344.77 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-phenylethanone is sourced from PubChem (CID 141067594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).