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

C22H31ClN2O2 — CID 4127168

IUPAC3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide
SMILESCCCCCCCCCCCNC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C22H31ClN2O2/c1-3-4-5-6-7-8-9-10-13-16-24-22(26)20-17(2)27-25-21(20)18-14-11-12-15-19(18)23/h11-12,14-15H,3-10,13,16H2,1-2H3,(H,24,26)
InChIKeyUUDOUYVXIBPXIP-UHFFFAOYSA-N
MW390.96 g/mol
LogP6.56
Rot. Bonds12

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

3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide (PubChem CID 4127168) has the molecular formula C22H31ClN2O2 and a molecular weight of 390.96 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide
PubChem CID4127168
Molecular FormulaC22H31ClN2O2
Molecular Weight390.96 g/mol
Exact Mass390.21
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide
SMILESCCCCCCCCCCCNC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C22H31ClN2O2/c1-3-4-5-6-7-8-9-10-13-16-24-22(26)20-17(2)27-25-21(20)18-14-11-12-15-19(18)23/h11-12,14-15H,3-10,13,16H2,1-2H3,(H,24,26)
InChIKeyUUDOUYVXIBPXIP-UHFFFAOYSA-N
XLogP6.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.96
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide
CID 3360708
N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119628283
3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 656333
N-butyl-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-4-carboxamide
CID 78865229
3-(2-chlorophenyl)-5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 42224430
N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 119641872
3-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 24818298
3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1009220
3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 121111972
1-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-pentylthiourea
CID 9187610

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide (CID 4127168) is 3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide is CCCCCCCCCCCNC(=O)c1c(-c2ccccc2Cl)noc1C.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide?
The InChIKey is UUDOUYVXIBPXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN2O2/c1-3-4-5-6-7-8-9-10-13-16-24-22(26)20-17(2)27-25-21(20)18-14-11-12-15-19(18)23/h11-12,14-15H,3-10,13,16H2,1-2H3,(H,24,26).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide has a molecular weight of 390.96 g/mol, XLogP of 6.56, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4127168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).