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

C18H22ClN3O3 — CID 135104886

IUPAC5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carboxamide
SMILESCOCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)NCC1CCC1
InChIInChI=1S/C18H22ClN3O3/c1-24-10-9-20-17-15(18(23)21-11-12-3-2-4-12)16(25-22-17)13-5-7-14(19)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,20,22)(H,21,23)
InChIKeySTHLDNVOOTWHDD-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.58
Rot. Bonds8

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

5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carboxamide (PubChem CID 135104886) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carboxamide
PubChem CID135104886
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carboxamide
SMILESCOCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)NCC1CCC1
InChIInChI=1S/C18H22ClN3O3/c1-24-10-9-20-17-15(18(23)21-11-12-3-2-4-12)16(25-22-17)13-5-7-14(19)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,20,22)(H,21,23)
InChIKeySTHLDNVOOTWHDD-UHFFFAOYSA-N
XLogP3.58
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.58
H-Bond Donors ≤ 52
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)-N-methyl-1,2-oxazole-4-carboxamide
CID 135108941
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
[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone
CID 135095764
[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-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 59170050
5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 92757648
4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide
CID 68875804
N-(cyclobutylmethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 33383648
5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid
CID 163315392

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carboxamide (CID 135104886) is 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carboxamide is COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)NCC1CCC1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carboxamide?
The InChIKey is STHLDNVOOTWHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-24-10-9-20-17-15(18(23)21-11-12-3-2-4-12)16(25-22-17)13-5-7-14(19)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carboxamide?
5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 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)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135104886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).