N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide

C24H21ClN2O2 — CID 3125099

IUPACN-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide
SMILESCc1ccc2nc(-c3cc(NC(=O)c4ccc(C(C)C)cc4)ccc3Cl)oc2c1
InChIInChI=1S/C24H21ClN2O2/c1-14(2)16-5-7-17(8-6-16)23(28)26-18-9-10-20(25)19(13-18)24-27-21-11-4-15(3)12-22(21)29-24/h4-14H,1-3H3,(H,26,28)
InChIKeyUESOEWNKUKJKIS-UHFFFAOYSA-N
MW404.90 g/mol
LogP6.83
Rot. Bonds4

About N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide

N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide (PubChem CID 3125099) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide
PubChem CID3125099
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC NameN-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide
SMILESCc1ccc2nc(-c3cc(NC(=O)c4ccc(C(C)C)cc4)ccc3Cl)oc2c1
InChIInChI=1S/C24H21ClN2O2/c1-14(2)16-5-7-17(8-6-16)23(28)26-18-9-10-20(25)19(13-18)24-27-21-11-4-15(3)12-22(21)29-24/h4-14H,1-3H3,(H,26,28)
InChIKeyUESOEWNKUKJKIS-UHFFFAOYSA-N
XLogP6.83
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 ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4567482
N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methylbenzamide
CID 2278771
N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide
CID 2278904
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 3124109
4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 58985881
5-chloro-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 17110541
N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide
CID 17100328
N-[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propoxybenzamide
CID 23739423
N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methylbutanamide
CID 1048098
2-(4-butan-2-ylphenoxy)-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 22782315
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide
CID 6737667
N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-(trifluoromethyl)benzamide
CID 71959468

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide (CID 3125099) is N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide is Cc1ccc2nc(-c3cc(NC(=O)c4ccc(C(C)C)cc4)ccc3Cl)oc2c1.
What is the InChIKey of N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide?
The InChIKey is UESOEWNKUKJKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-14(2)16-5-7-17(8-6-16)23(28)26-18-9-10-20(25)19(13-18)24-27-21-11-4-15(3)12-22(21)29-24/h4-14H,1-3H3,(H,26,28).
What are the key properties of N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide?
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide has a molecular weight of 404.90 g/mol, XLogP of 6.83, 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-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 3125099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).