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

C22H17ClN2O2 — CID 1334105

IUPACN-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide
SMILESCc1ccc2oc(-c3cc(NC(=O)Cc4ccccc4)ccc3Cl)nc2c1
InChIInChI=1S/C22H17ClN2O2/c1-14-7-10-20-19(11-14)25-22(27-20)17-13-16(8-9-18(17)23)24-21(26)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,24,26)
InChIKeyISUJCQSOLFHMQB-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.64
Rot. Bonds4

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

N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide (PubChem CID 1334105) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide
PubChem CID1334105
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC NameN-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide
SMILESCc1ccc2oc(-c3cc(NC(=O)Cc4ccccc4)ccc3Cl)nc2c1
InChIInChI=1S/C22H17ClN2O2/c1-14-7-10-20-19(11-14)25-22(27-20)17-13-16(8-9-18(17)23)24-21(26)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,24,26)
InChIKeyISUJCQSOLFHMQB-UHFFFAOYSA-N
XLogP5.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
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2-(2-Chlorophenyl)-5-benzoxazolamine
CID 659630
2-chloro-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
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3-(5,7-Dimethyl-1,3-benzoxazol-2-yl)aniline
CID 721040
Benzoxazole, 5-methyl-2-(4-methylphenyl)-
CID 85307
2-(4-Chlorophenyl)benzoxazole
CID 14355
3-(6-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 721026
4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 350189
3-(5-Chloro-2-benzoxazolyl)benzenamine
CID 721056

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide (CID 1334105) is N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide is Cc1ccc2oc(-c3cc(NC(=O)Cc4ccccc4)ccc3Cl)nc2c1.
What is the InChIKey of N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide?
The InChIKey is ISUJCQSOLFHMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c1-14-7-10-20-19(11-14)25-22(27-20)17-13-16(8-9-18(17)23)24-21(26)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,24,26).
What are the key properties of N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide?
N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide has a molecular weight of 376.84 g/mol, XLogP of 5.64, 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-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 1334105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).