5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-N-methyl-1,2-oxazole-4-carboxamide

C19H24ClN3O3 — CID 135108941

IUPAC5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-N-methyl-1,2-oxazole-4-carboxamide
SMILESCOCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N(C)CC1CCC1
InChIInChI=1S/C19H24ClN3O3/c1-23(12-13-4-3-5-13)19(24)16-17(14-6-8-15(20)9-7-14)26-22-18(16)21-10-11-25-2/h6-9,13H,3-5,10-12H2,1-2H3,(H,21,22)
InChIKeyXNODYEYSNGILAP-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.93
Rot. Bonds8

About 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-N-methyl-1,2-oxazole-4-carboxamide

5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-N-methyl-1,2-oxazole-4-carboxamide (PubChem CID 135108941) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-N-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-N-methyl-1,2-oxazole-4-carboxamide
PubChem CID135108941
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-N-methyl-1,2-oxazole-4-carboxamide
SMILESCOCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N(C)CC1CCC1
InChIInChI=1S/C19H24ClN3O3/c1-23(12-13-4-3-5-13)19(24)16-17(14-6-8-15(20)9-7-14)26-22-18(16)21-10-11-25-2/h6-9,13H,3-5,10-12H2,1-2H3,(H,21,22)
InChIKeyXNODYEYSNGILAP-UHFFFAOYSA-N
XLogP3.93
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.93
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

5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carboxamide
CID 135104886
[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone
CID 135095764
5-(4-chlorophenyl)-3-(2-methoxyethylamino)-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 135114962
5-(4-chlorophenyl)-3-(2-methoxyethylamino)-N-[(3R)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide;hydrochloride
CID 154918302
[4,4-bis(hydroxymethyl)piperidin-1-yl]-[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]methanone
CID 135101386
[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 135095975
3-(3-aminopropylamino)-5-(4-chlorophenyl)-1,2-oxazole-4-carboxylic acid
CID 163314238
N-(cyclobutylmethyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 79282440
5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid
CID 163308093
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]-1,2-oxazole-4-carboxamide
CID 135107726
5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid
CID 163315392
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)acetamide
CID 16878595

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-N-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-N-methyl-1,2-oxazole-4-carboxamide (CID 135108941) is 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-N-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-N-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-N-methyl-1,2-oxazole-4-carboxamide is COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N(C)CC1CCC1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-N-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is XNODYEYSNGILAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-23(12-13-4-3-5-13)19(24)16-17(14-6-8-15(20)9-7-14)26-22-18(16)21-10-11-25-2/h6-9,13H,3-5,10-12H2,1-2H3,(H,21,22).
What are the key properties of 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-N-methyl-1,2-oxazole-4-carboxamide?
5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-N-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 377.87 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-N-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135108941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).