3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H20ClN3O3 — CID 3158113

IUPAC3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C16H20ClN3O3/c17-13-3-1-12(2-4-13)14-11-15(23-19-14)16(21)18-5-6-20-7-9-22-10-8-20/h1-4,15H,5-11H2,(H,18,21)
InChIKeyQCRCQVRFJNVPPC-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.28
Rot. Bonds5

About 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3158113) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3158113
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C16H20ClN3O3/c17-13-3-1-12(2-4-13)14-11-15(23-19-14)16(21)18-5-6-20-7-9-22-10-8-20/h1-4,15H,5-11H2,(H,18,21)
InChIKeyQCRCQVRFJNVPPC-UHFFFAOYSA-N
XLogP1.28
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-N-(tetrahydro-2-furanylmethyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 2974916
1-{[3-(2-Chloro-6-fluorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}-4-methylpiperazine
CID 2962184
N-butyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 11958467
3-(3,4-dichlorophenyl)-N-(tetrahydro-2-furanylmethyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 2962204
4-[[3-(4-chlorophenyl)-2-isoxazolin-5-yl]methyl]-N-heptyl-isonipecotamide
CID 24818153
4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-heptyl-1-(1-methylcyclopropanecarbonyl)piperidine-4-carboxamide
CID 24856193
3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2962185
3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158038
3-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 3158041
3-(4-fluorophenyl)-N-[3-(4-morpholinyl)propyl]-4,5-dihydro-5-isoxazolecarboxamide
CID 17095757
N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2815876
[3-(2-Chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 3158042

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3158113) is 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCCN1CCOCC1)C1CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is QCRCQVRFJNVPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c17-13-3-1-12(2-4-13)14-11-15(23-19-14)16(21)18-5-6-20-7-9-22-10-8-20/h1-4,15H,5-11H2,(H,18,21).
What are the key properties of 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3158113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).