N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide

C24H21ClN2O2 — CID 17018338

IUPACN-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1
InChIInChI=1S/C24H21ClN2O2/c1-4-16-5-7-17(8-6-16)23(28)26-18-9-10-20(25)19(13-18)24-27-21-12-14(2)11-15(3)22(21)29-24/h5-13H,4H2,1-3H3,(H,26,28)
InChIKeyNQXQQZMNMXWECY-UHFFFAOYSA-N
MW404.90 g/mol
LogP6.58
Rot. Bonds4

About N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide

N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide (PubChem CID 17018338) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide
PubChem CID17018338
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC NameN-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1
InChIInChI=1S/C24H21ClN2O2/c1-4-16-5-7-17(8-6-16)23(28)26-18-9-10-20(25)19(13-18)24-27-21-12-14(2)11-15(3)22(21)29-24/h5-13H,4H2,1-3H3,(H,26,28)
InChIKeyNQXQQZMNMXWECY-UHFFFAOYSA-N
XLogP6.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 19631384
N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-ethylbenzamide
CID 3893327
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide
CID 135765722
N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
CID 2275762
N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 17110548
N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1048341
4-bromo-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17318651
4-chloro-N-[[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methylpentanamide
CID 4510751
(E)-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17018330
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide
CID 3125099
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide
CID 711630
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]pyridine-3-carboxamide
CID 135447235

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide?
The IUPAC name of N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide (CID 17018338) is N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide?
The canonical SMILES for N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1.
What is the InChIKey of N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide?
The InChIKey is NQXQQZMNMXWECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-4-16-5-7-17(8-6-16)23(28)26-18-9-10-20(25)19(13-18)24-27-21-12-14(2)11-15(3)22(21)29-24/h5-13H,4H2,1-3H3,(H,26,28).
What are the key properties of N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide?
N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide has a molecular weight of 404.90 g/mol, XLogP of 6.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide is sourced from PubChem (CID 17018338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).