(2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide

C19H18N2O2 — CID 110616979

IUPAC(2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide
SMILESCC/C(=C\c1ccccc1)C(=O)Nc1cccc2nc(C)oc12
InChIInChI=1S/C19H18N2O2/c1-3-15(12-14-8-5-4-6-9-14)19(22)21-17-11-7-10-16-18(17)23-13(2)20-16/h4-12H,3H2,1-2H3,(H,21,22)/b15-12+
InChIKeyOLXOCXASYADGNB-NTCAYCPXSA-N
MW306.37 g/mol
LogP4.57
Rot. Bonds4

About (2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide

(2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide (PubChem CID 110616979) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide.

Molecular Properties

Compound Name(2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide
PubChem CID110616979
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide
SMILESCC/C(=C\c1ccccc1)C(=O)Nc1cccc2nc(C)oc12
InChIInChI=1S/C19H18N2O2/c1-3-15(12-14-8-5-4-6-9-14)19(22)21-17-11-7-10-16-18(17)23-13(2)20-16/h4-12H,3H2,1-2H3,(H,21,22)/b15-12+
InChIKeyOLXOCXASYADGNB-NTCAYCPXSA-N
XLogP4.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide?
The IUPAC name of (2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide (CID 110616979) is (2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide.
What is the SMILES notation for (2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide?
The canonical SMILES for (2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide is CC/C(=C\c1ccccc1)C(=O)Nc1cccc2nc(C)oc12.
What is the InChIKey of (2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide?
The InChIKey is OLXOCXASYADGNB-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-15(12-14-8-5-4-6-9-14)19(22)21-17-11-7-10-16-18(17)23-13(2)20-16/h4-12H,3H2,1-2H3,(H,21,22)/b15-12+.
What are the key properties of (2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide?
(2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide has a molecular weight of 306.37 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide is sourced from PubChem (CID 110616979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).