2-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-4-carboxamide

C16H17ClFN3O3 — CID 136522994

IUPAC2-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-4-carboxamide
SMILESCc1cc(CNC(=O)N2CCOC(c3ccc(F)c(Cl)c3)C2)on1
InChIInChI=1S/C16H17ClFN3O3/c1-10-6-12(24-20-10)8-19-16(22)21-4-5-23-15(9-21)11-2-3-14(18)13(17)7-11/h2-3,6-7,15H,4-5,8-9H2,1H3,(H,19,22)
InChIKeyFCNLRIKWWZVYNE-UHFFFAOYSA-N
MW353.78 g/mol
LogP3.06
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-4-carboxamide

2-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-4-carboxamide (PubChem CID 136522994) has the molecular formula C16H17ClFN3O3 and a molecular weight of 353.78 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-4-carboxamide
PubChem CID136522994
Molecular FormulaC16H17ClFN3O3
Molecular Weight353.78 g/mol
Exact Mass353.09
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-4-carboxamide
SMILESCc1cc(CNC(=O)N2CCOC(c3ccc(F)c(Cl)c3)C2)on1
InChIInChI=1S/C16H17ClFN3O3/c1-10-6-12(24-20-10)8-19-16(22)21-4-5-23-15(9-21)11-2-3-14(18)13(17)7-11/h2-3,6-7,15H,4-5,8-9H2,1H3,(H,19,22)
InChIKeyFCNLRIKWWZVYNE-UHFFFAOYSA-N
XLogP3.06
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-4-carboxamide (CID 136522994) is 2-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-4-carboxamide is Cc1cc(CNC(=O)N2CCOC(c3ccc(F)c(Cl)c3)C2)on1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-4-carboxamide?
The InChIKey is FCNLRIKWWZVYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O3/c1-10-6-12(24-20-10)8-19-16(22)21-4-5-23-15(9-21)11-2-3-14(18)13(17)7-11/h2-3,6-7,15H,4-5,8-9H2,1H3,(H,19,22).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-4-carboxamide?
2-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-4-carboxamide has a molecular weight of 353.78 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 136522994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).