N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide

C24H21ClN2O3 — CID 2275762

IUPACN-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(CC)ccc4o3)c2)cc1
InChIInChI=1S/C24H21ClN2O3/c1-3-15-5-12-22-21(13-15)27-24(30-22)19-14-17(8-11-20(19)25)26-23(28)16-6-9-18(10-7-16)29-4-2/h5-14H,3-4H2,1-2H3,(H,26,28)
InChIKeyBZUZMLWAISQUIH-UHFFFAOYSA-N
MW420.90 g/mol
LogP6.36
Rot. Bonds6

About N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide

N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide (PubChem CID 2275762) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
PubChem CID2275762
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC NameN-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(CC)ccc4o3)c2)cc1
InChIInChI=1S/C24H21ClN2O3/c1-3-15-5-12-22-21(13-15)27-24(30-22)19-14-17(8-11-20(19)25)26-23(28)16-6-9-18(10-7-16)29-4-2/h5-14H,3-4H2,1-2H3,(H,26,28)
InChIKeyBZUZMLWAISQUIH-UHFFFAOYSA-N
XLogP6.36
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-ethylbenzamide
CID 3893327
N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 2289137
N-[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propoxybenzamide
CID 23739423
N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 23798841
N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 2276581
N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 1213657
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 1323035
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-4-ethoxybenzamide
CID 3804335
N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-phenylmethoxybenzamide
CID 17314516
N-[[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethylbenzamide
CID 17114066
N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide
CID 17018338

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide?
The IUPAC name of N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide (CID 2275762) is N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide?
The canonical SMILES for N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(CC)ccc4o3)c2)cc1.
What is the InChIKey of N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide?
The InChIKey is BZUZMLWAISQUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c1-3-15-5-12-22-21(13-15)27-24(30-22)19-14-17(8-11-20(19)25)26-23(28)16-6-9-18(10-7-16)29-4-2/h5-14H,3-4H2,1-2H3,(H,26,28).
What are the key properties of N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide?
N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide has a molecular weight of 420.90 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide is sourced from PubChem (CID 2275762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).