[(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate

C21H18FNO4 — CID 97014554

IUPAC[(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate
SMILESO=C(OC[C@H]1CCCO1)c1ccccc1-c1ncc(-c2ccccc2F)o1
InChIInChI=1S/C21H18FNO4/c22-18-10-4-3-9-17(18)19-12-23-20(27-19)15-7-1-2-8-16(15)21(24)26-13-14-6-5-11-25-14/h1-4,7-10,12,14H,5-6,11,13H2/t14-/m1/s1
InChIKeyDJFUUMQNPOLEOB-CQSZACIVSA-N
MW367.38 g/mol
LogP4.48
Rot. Bonds5

About [(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate

[(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate (PubChem CID 97014554) has the molecular formula C21H18FNO4 and a molecular weight of 367.38 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate
PubChem CID97014554
Molecular FormulaC21H18FNO4
Molecular Weight367.38 g/mol
Exact Mass367.12
IUPAC Name[(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate
SMILESO=C(OC[C@H]1CCCO1)c1ccccc1-c1ncc(-c2ccccc2F)o1
InChIInChI=1S/C21H18FNO4/c22-18-10-4-3-9-17(18)19-12-23-20(27-19)15-7-1-2-8-16(15)21(24)26-13-14-6-5-11-25-14/h1-4,7-10,12,14H,5-6,11,13H2/t14-/m1/s1
InChIKeyDJFUUMQNPOLEOB-CQSZACIVSA-N
XLogP4.48
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 47790086
(5-oxopyrrolidin-2-yl)methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate
CID 78847508
oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate
CID 71988295
[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
CID 2375210
oxan-2-ylmethyl 2-fluoropyridine-3-carboxylate
CID 107271843
[(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate
CID 97007291
oxolan-2-ylmethyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate
CID 71887688
[4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate
CID 26256561
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)benzamide
CID 119461006
2-O-(oxolan-2-ylmethyl) 1-O-propyl benzene-1,2-dicarboxylate
CID 6421085
oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate
CID 115645384
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)benzamide
CID 36656774

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate?
The IUPAC name of [(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate (CID 97014554) is [(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate is O=C(OC[C@H]1CCCO1)c1ccccc1-c1ncc(-c2ccccc2F)o1.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate?
The InChIKey is DJFUUMQNPOLEOB-CQSZACIVSA-N. The full InChI is InChI=1S/C21H18FNO4/c22-18-10-4-3-9-17(18)19-12-23-20(27-19)15-7-1-2-8-16(15)21(24)26-13-14-6-5-11-25-14/h1-4,7-10,12,14H,5-6,11,13H2/t14-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate?
[(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate has a molecular weight of 367.38 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate is sourced from PubChem (CID 97014554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).