[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate

C14H12FNO4 — CID 94874116

IUPAC[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)O[C@H](C)C(=O)c2ccc(F)cc2)on1
InChIInChI=1S/C14H12FNO4/c1-8-7-12(20-16-8)14(18)19-9(2)13(17)10-3-5-11(15)6-4-10/h3-7,9H,1-2H3/t9-/m1/s1
InChIKeyWGRZNSBDANABNS-SECBINFHSA-N
MW277.25 g/mol
LogP2.55
Rot. Bonds4

About [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate

[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 94874116) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID94874116
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)O[C@H](C)C(=O)c2ccc(F)cc2)on1
InChIInChI=1S/C14H12FNO4/c1-8-7-12(20-16-8)14(18)19-9(2)13(17)10-3-5-11(15)6-4-10/h3-7,9H,1-2H3/t9-/m1/s1
InChIKeyWGRZNSBDANABNS-SECBINFHSA-N
XLogP2.55
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

[1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 18199682
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737773
[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 9383653
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 42903866
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737661
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 47009507
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 40728613
[1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 47009502
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 42887003
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 9408025
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 18199684
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549699

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate (CID 94874116) is [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)O[C@H](C)C(=O)c2ccc(F)cc2)on1.
What is the InChIKey of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is WGRZNSBDANABNS-SECBINFHSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-8-7-12(20-16-8)14(18)19-9(2)13(17)10-3-5-11(15)6-4-10/h3-7,9H,1-2H3/t9-/m1/s1.
What are the key properties of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 277.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 94874116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).