methyl 2-(2-fluorophenyl)-4-morpholin-4-yl-1,3-oxazole-5-carboxylate

C15H15FN2O4 — CID 175258617

IUPACmethyl 2-(2-fluorophenyl)-4-morpholin-4-yl-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1oc(-c2ccccc2F)nc1N1CCOCC1
InChIInChI=1S/C15H15FN2O4/c1-20-15(19)12-13(18-6-8-21-9-7-18)17-14(22-12)10-4-2-3-5-11(10)16/h2-5H,6-9H2,1H3
InChIKeyGZVRRTMRUMXLCS-UHFFFAOYSA-N
MW306.29 g/mol
LogP2.10
Rot. Bonds3

About methyl 2-(2-fluorophenyl)-4-morpholin-4-yl-1,3-oxazole-5-carboxylate

methyl 2-(2-fluorophenyl)-4-morpholin-4-yl-1,3-oxazole-5-carboxylate (PubChem CID 175258617) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-4-morpholin-4-yl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-4-morpholin-4-yl-1,3-oxazole-5-carboxylate
PubChem CID175258617
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Namemethyl 2-(2-fluorophenyl)-4-morpholin-4-yl-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1oc(-c2ccccc2F)nc1N1CCOCC1
InChIInChI=1S/C15H15FN2O4/c1-20-15(19)12-13(18-6-8-21-9-7-18)17-14(22-12)10-4-2-3-5-11(10)16/h2-5H,6-9H2,1H3
InChIKeyGZVRRTMRUMXLCS-UHFFFAOYSA-N
XLogP2.10
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-4-morpholin-4-yl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(2-fluorophenyl)-4-morpholin-4-yl-1,3-oxazole-5-carboxylate (CID 175258617) is methyl 2-(2-fluorophenyl)-4-morpholin-4-yl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-4-morpholin-4-yl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-4-morpholin-4-yl-1,3-oxazole-5-carboxylate is COC(=O)c1oc(-c2ccccc2F)nc1N1CCOCC1.
What is the InChIKey of methyl 2-(2-fluorophenyl)-4-morpholin-4-yl-1,3-oxazole-5-carboxylate?
The InChIKey is GZVRRTMRUMXLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-20-15(19)12-13(18-6-8-21-9-7-18)17-14(22-12)10-4-2-3-5-11(10)16/h2-5H,6-9H2,1H3.
What are the key properties of methyl 2-(2-fluorophenyl)-4-morpholin-4-yl-1,3-oxazole-5-carboxylate?
methyl 2-(2-fluorophenyl)-4-morpholin-4-yl-1,3-oxazole-5-carboxylate has a molecular weight of 306.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-4-morpholin-4-yl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 175258617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).