N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide

C19H20N2O2 — CID 881883

IUPACN-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
SMILESCc1cc2nc(-c3cccc(NC(=O)C(C)C)c3)oc2cc1C
InChIInChI=1S/C19H20N2O2/c1-11(2)18(22)20-15-7-5-6-14(10-15)19-21-16-8-12(3)13(4)9-17(16)23-19/h5-11H,1-4H3,(H,20,22)
InChIKeyPXYKDEDJCISGCC-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.71
Rot. Bonds3

About N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide

N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide (PubChem CID 881883) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
PubChem CID881883
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
SMILESCc1cc2nc(-c3cccc(NC(=O)C(C)C)c3)oc2cc1C
InChIInChI=1S/C19H20N2O2/c1-11(2)18(22)20-15-7-5-6-14(10-15)19-21-16-8-12(3)13(4)9-17(16)23-19/h5-11H,1-4H3,(H,20,22)
InChIKeyPXYKDEDJCISGCC-UHFFFAOYSA-N
XLogP4.71
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 869599
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 9185246
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 17100843
2-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-iodobenzamide
CID 3117254
2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 3421834
3,5-dibromo-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 17318757
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3,4-dimethylbenzamide
CID 1116351
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbutanamide
CID 954530
2-benzylsulfanyl-N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 17362953
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethylbenzamide
CID 40615869
N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 17101720
N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
CID 27235892

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide (CID 881883) is N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide is Cc1cc2nc(-c3cccc(NC(=O)C(C)C)c3)oc2cc1C.
What is the InChIKey of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is PXYKDEDJCISGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-11(2)18(22)20-15-7-5-6-14(10-15)19-21-16-8-12(3)13(4)9-17(16)23-19/h5-11H,1-4H3,(H,20,22).
What are the key properties of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 308.38 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 881883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).