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

C19H19ClN2O2 — CID 91683695

IUPAC2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCc1c(NC(=O)CCl)cccc1-c1nc2cc(C(C)C)ccc2o1
InChIInChI=1S/C19H19ClN2O2/c1-11(2)13-7-8-17-16(9-13)22-19(24-17)14-5-4-6-15(12(14)3)21-18(23)10-20/h4-9,11H,10H2,1-3H3,(H,21,23)
InChIKeyYYOGNIXBGTUSIC-UHFFFAOYSA-N
MW342.83 g/mol
LogP5.10
Rot. Bonds4

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

2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 91683695) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID91683695
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCc1c(NC(=O)CCl)cccc1-c1nc2cc(C(C)C)ccc2o1
InChIInChI=1S/C19H19ClN2O2/c1-11(2)13-7-8-17-16(9-13)22-19(24-17)14-5-4-6-15(12(14)3)21-18(23)10-20/h4-9,11H,10H2,1-3H3,(H,21,23)
InChIKeyYYOGNIXBGTUSIC-UHFFFAOYSA-N
XLogP5.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.83
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide
CID 5343935
2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 168522807
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methylbutanamide
CID 1048095
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 73254656
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 23990283
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 6460335
N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17318765
N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 4089024
N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 712724
3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 23766038
3-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide
CID 2911857
2-(4-chloro-3-methylphenoxy)-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 1362838

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 91683695) is 2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide is Cc1c(NC(=O)CCl)cccc1-c1nc2cc(C(C)C)ccc2o1.
What is the InChIKey of 2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is YYOGNIXBGTUSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-11(2)13-7-8-17-16(9-13)22-19(24-17)14-5-4-6-15(12(14)3)21-18(23)10-20/h4-9,11H,10H2,1-3H3,(H,21,23).
What are the key properties of 2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide?
2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 342.83 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 91683695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).