5-methyl-N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide

C17H21N3O3 — CID 700868

IUPAC5-methyl-N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H21N3O3/c1-13-15(16(19-23-13)14-5-3-2-4-6-14)17(21)18-7-8-20-9-11-22-12-10-20/h2-6H,7-12H2,1H3,(H,18,21)
InChIKeyXAXMZGNTLXTTJS-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.71
Rot. Bonds5

About 5-methyl-N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide

5-methyl-N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 700868) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-methyl-N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID700868
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name5-methyl-N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H21N3O3/c1-13-15(16(19-23-13)14-5-3-2-4-6-14)17(21)18-7-8-20-9-11-22-12-10-20/h2-6H,7-12H2,1H3,(H,18,21)
InChIKeyXAXMZGNTLXTTJS-UHFFFAOYSA-N
XLogP1.71
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
Cambridge id 5777587
CID 869900
2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369
4-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde
CID 3555310
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4783580
{4-Benzyl-1-[(3,5-dimethylisoxazol-4-yl)carbonyl]piperidin-4-yl}methanol
CID 16191291
3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 17174146

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide (CID 700868) is 5-methyl-N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NCCN1CCOCC1.
What is the InChIKey of 5-methyl-N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is XAXMZGNTLXTTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13-15(16(19-23-13)14-5-3-2-4-6-14)17(21)18-7-8-20-9-11-22-12-10-20/h2-6H,7-12H2,1H3,(H,18,21).
What are the key properties of 5-methyl-N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 700868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).