(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone

C18H21FN2O3 — CID 45231852

IUPAC(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCOC(Cc3ccc(F)cc3)C2)o1
InChIInChI=1S/C18H21FN2O3/c1-3-16-20-12(2)17(24-16)18(22)21-8-9-23-15(11-21)10-13-4-6-14(19)7-5-13/h4-7,15H,3,8-11H2,1-2H3
InChIKeyXRAZEIJDPKQODV-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.77
Rot. Bonds4

About (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone (PubChem CID 45231852) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
PubChem CID45231852
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCOC(Cc3ccc(F)cc3)C2)o1
InChIInChI=1S/C18H21FN2O3/c1-3-16-20-12(2)17(24-16)18(22)21-8-9-23-15(11-21)10-13-4-6-14(19)7-5-13/h4-7,15H,3,8-11H2,1-2H3
InChIKeyXRAZEIJDPKQODV-UHFFFAOYSA-N
XLogP2.77
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone?
The IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone (CID 45231852) is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone is CCc1nc(C)c(C(=O)N2CCOC(Cc3ccc(F)cc3)C2)o1.
What is the InChIKey of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone?
The InChIKey is XRAZEIJDPKQODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-3-16-20-12(2)17(24-16)18(22)21-8-9-23-15(11-21)10-13-4-6-14(19)7-5-13/h4-7,15H,3,8-11H2,1-2H3.
What are the key properties of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone?
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone has a molecular weight of 332.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 45231852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).