N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide

C25H21ClN2O3 — CID 100503954

IUPACN-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C25H21ClN2O3/c1-2-30-20-13-9-18(10-14-20)23-16-28-25(31-23)22-6-4-3-5-21(22)24(29)27-15-17-7-11-19(26)12-8-17/h3-14,16H,2,15H2,1H3,(H,27,29)
InChIKeyFHOIWBXSZWRZQJ-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.99
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 100503954) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID100503954
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C25H21ClN2O3/c1-2-30-20-13-9-18(10-14-20)23-16-28-25(31-23)22-6-4-3-5-21(22)24(29)27-15-17-7-11-19(26)12-8-17/h3-14,16H,2,15H2,1H3,(H,27,29)
InChIKeyFHOIWBXSZWRZQJ-UHFFFAOYSA-N
XLogP5.99
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
CID 100512374
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methylpropyl)benzamide
CID 100503798
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 100508849
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide
CID 100503847
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 100503714
N-(3-chlorophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504316
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100504090
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
CID 100513748
N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502024
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504037
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 100512579
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide
CID 100504250

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide (CID 100503954) is N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide is CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is FHOIWBXSZWRZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3/c1-2-30-20-13-9-18(10-14-20)23-16-28-25(31-23)22-6-4-3-5-21(22)24(29)27-15-17-7-11-19(26)12-8-17/h3-14,16H,2,15H2,1H3,(H,27,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 432.91 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 100503954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).