5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide

C18H22ClN3O3 — CID 46093851

IUPAC5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2Cl)c1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H22ClN3O3/c1-13-16(17(25-21-13)14-5-2-3-6-15(14)19)18(23)20-7-4-8-22-9-11-24-12-10-22/h2-3,5-6H,4,7-12H2,1H3,(H,20,23)
InChIKeyYNZLDRPOIBJWGX-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.76
Rot. Bonds6

About 5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide

5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide (PubChem CID 46093851) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
PubChem CID46093851
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2Cl)c1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H22ClN3O3/c1-13-16(17(25-21-13)14-5-2-3-6-15(14)19)18(23)20-7-4-8-22-9-11-24-12-10-22/h2-3,5-6H,4,7-12H2,1H3,(H,20,23)
InChIKeyYNZLDRPOIBJWGX-UHFFFAOYSA-N
XLogP2.76
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 656333
5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
CID 46096716
3-(2-chlorophenyl)-5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 42224430
5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 1093869
5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 51155914
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46097141
5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 46097190
5-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 92760842
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46097174
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide (CID 46093851) is 5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide is Cc1noc(-c2ccccc2Cl)c1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide?
The InChIKey is YNZLDRPOIBJWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-13-16(17(25-21-13)14-5-2-3-6-15(14)19)18(23)20-7-4-8-22-9-11-24-12-10-22/h2-3,5-6H,4,7-12H2,1H3,(H,20,23).
What are the key properties of 5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide?
5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46093851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).