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

C24H21ClN2O2 — CID 7325870

IUPACN-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide
SMILESCC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)Cc4ccccc4)c3)nc2c1
InChIInChI=1S/C24H21ClN2O2/c1-15(2)17-9-11-22-21(13-17)27-24(29-22)18-8-10-19(25)20(14-18)26-23(28)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,26,28)
InChIKeyGQCDZCZGVUUWNH-UHFFFAOYSA-N
MW404.90 g/mol
LogP6.45
Rot. Bonds5

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

N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide (PubChem CID 7325870) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide
PubChem CID7325870
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC NameN-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide
SMILESCC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)Cc4ccccc4)c3)nc2c1
InChIInChI=1S/C24H21ClN2O2/c1-15(2)17-9-11-22-21(13-17)27-24(29-22)18-8-10-19(25)20(14-18)26-23(28)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,26,28)
InChIKeyGQCDZCZGVUUWNH-UHFFFAOYSA-N
XLogP6.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide (CID 7325870) is N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide is CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)Cc4ccccc4)c3)nc2c1.
What is the InChIKey of N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide?
The InChIKey is GQCDZCZGVUUWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-15(2)17-9-11-22-21(13-17)27-24(29-22)18-8-10-19(25)20(14-18)26-23(28)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,26,28).
What are the key properties of N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide?
N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide has a molecular weight of 404.90 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 7325870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).