2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide

C22H20N2O2 — CID 17101730

IUPAC2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C22H20N2O2/c1-22(2,3)21(25)23-17-10-11-19-18(13-17)24-20(26-19)16-9-8-14-6-4-5-7-15(14)12-16/h4-13H,1-3H3,(H,23,25)
InChIKeyQPNLPQCRDLPSBT-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.63
Rot. Bonds2

About 2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide

2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 17101730) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide
PubChem CID17101730
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C22H20N2O2/c1-22(2,3)21(25)23-17-10-11-19-18(13-17)24-20(26-19)16-9-8-14-6-4-5-7-15(14)12-16/h4-13H,1-3H3,(H,23,25)
InChIKeyQPNLPQCRDLPSBT-UHFFFAOYSA-N
XLogP5.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2,2-dimethylpropanamide
CID 17101697
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2,2-dimethylpropanamide
CID 29244185
3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 23965037
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 1326852
N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 1114177
2,2-dimethyl-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]propanamide
CID 17099835
3,5-dimethyl-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
CID 22782709
2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 25211123
2,2,2-trichloro-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 5241503
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308147
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide
CID 23102429
N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide (CID 17101730) is 2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide is CC(C)(C)C(=O)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1.
What is the InChIKey of 2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is QPNLPQCRDLPSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-22(2,3)21(25)23-17-10-11-19-18(13-17)24-20(26-19)16-9-8-14-6-4-5-7-15(14)12-16/h4-13H,1-3H3,(H,23,25).
What are the key properties of 2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide?
2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 344.41 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 17101730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).