3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide

C15H14ClN3O4 — CID 71689388

IUPAC3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)COC(C(=O)Nc2ccon2)C1c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O4/c1-19-12(20)8-22-14(15(21)17-11-6-7-23-18-11)13(19)9-2-4-10(16)5-3-9/h2-7,13-14H,8H2,1H3,(H,17,18,21)
InChIKeyBYEIQGAKGPFQCU-UHFFFAOYSA-N
MW335.75 g/mol
LogP1.87
Rot. Bonds3

About 3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide

3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide (PubChem CID 71689388) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
PubChem CID71689388
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC Name3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)COC(C(=O)Nc2ccon2)C1c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O4/c1-19-12(20)8-22-14(15(21)17-11-6-7-23-18-11)13(19)9-2-4-10(16)5-3-9/h2-7,13-14H,8H2,1H3,(H,17,18,21)
InChIKeyBYEIQGAKGPFQCU-UHFFFAOYSA-N
XLogP1.87
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(4-methylphenyl)-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
CID 75538206
(2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
CID 97457632
(2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739578
(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739579
(2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide
CID 95739673
(2R,3S)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide
CID 95739671
(2S,3R)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 95739648
(2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739604
(2S,3S)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739605
(2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739590
(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-prop-2-enylmorpholine-2-carboxamide
CID 95739719
3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 110280685

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide (CID 71689388) is 3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide is CN1C(=O)COC(C(=O)Nc2ccon2)C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide?
The InChIKey is BYEIQGAKGPFQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c1-19-12(20)8-22-14(15(21)17-11-6-7-23-18-11)13(19)9-2-4-10(16)5-3-9/h2-7,13-14H,8H2,1H3,(H,17,18,21).
What are the key properties of 3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide?
3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide has a molecular weight of 335.75 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 71689388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).