2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanamide

C18H18N2O2 — CID 1364012

IUPAC2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanamide
SMILESCc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc1
InChIInChI=1S/C18H18N2O2/c1-11(2)17(21)19-14-8-9-16-15(10-14)20-18(22-16)13-6-4-12(3)5-7-13/h4-11H,1-3H3,(H,19,21)
InChIKeyOOVORNBVKDFKNI-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.40
Rot. Bonds3

About 2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanamide

2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanamide (PubChem CID 1364012) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanamide
PubChem CID1364012
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanamide
SMILESCc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc1
InChIInChI=1S/C18H18N2O2/c1-11(2)17(21)19-14-8-9-16-15(10-14)20-18(22-16)13-6-4-12(3)5-7-13/h4-11H,1-3H3,(H,19,21)
InChIKeyOOVORNBVKDFKNI-UHFFFAOYSA-N
XLogP4.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanamide?
The IUPAC name of 2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanamide (CID 1364012) is 2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanamide is Cc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc1.
What is the InChIKey of 2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanamide?
The InChIKey is OOVORNBVKDFKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11(2)17(21)19-14-8-9-16-15(10-14)20-18(22-16)13-6-4-12(3)5-7-13/h4-11H,1-3H3,(H,19,21).
What are the key properties of 2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanamide?
2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanamide has a molecular weight of 294.35 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanamide is sourced from PubChem (CID 1364012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).