2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide

C21H21ClN2O2 — CID 100513748

IUPAC2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H21ClN2O2/c1-2-3-6-13-23-20(25)17-7-4-5-8-18(17)21-24-14-19(26-21)15-9-11-16(22)12-10-15/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,23,25)
InChIKeyDWDRMOMTRLZMEI-UHFFFAOYSA-N
MW368.86 g/mol
LogP5.58
Rot. Bonds7

About 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide

2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide (PubChem CID 100513748) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
PubChem CID100513748
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H21ClN2O2/c1-2-3-6-13-23-20(25)17-7-4-5-8-18(17)21-24-14-19(26-21)15-9-11-16(22)12-10-15/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,23,25)
InChIKeyDWDRMOMTRLZMEI-UHFFFAOYSA-N
XLogP5.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.58
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

2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
CID 100512374
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 31813310
N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100503954
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide
CID 100513460
N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide
CID 100512478
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 100512579
N-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 36807682
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100512790
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 100510051
[2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510393

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide (CID 100513748) is 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide is CCCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide?
The InChIKey is DWDRMOMTRLZMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-2-3-6-13-23-20(25)17-7-4-5-8-18(17)21-24-14-19(26-21)15-9-11-16(22)12-10-15/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,23,25).
What are the key properties of 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide?
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide has a molecular weight of 368.86 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide is sourced from PubChem (CID 100513748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).