N-(1,2-benzoxazol-3-yl)-2,2-dimethylpropanamide

C12H14N2O2 — CID 6623762

IUPACN-(1,2-benzoxazol-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1noc2ccccc12
InChIInChI=1S/C12H14N2O2/c1-12(2,3)11(15)13-10-8-6-4-5-7-9(8)16-14-10/h4-7H,1-3H3,(H,13,14,15)
InChIKeySMEVVVCMVAJUOU-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.81
Rot. Bonds1

About N-(1,2-benzoxazol-3-yl)-2,2-dimethylpropanamide

N-(1,2-benzoxazol-3-yl)-2,2-dimethylpropanamide (PubChem CID 6623762) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-yl)-2,2-dimethylpropanamide
PubChem CID6623762
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(1,2-benzoxazol-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1noc2ccccc12
InChIInChI=1S/C12H14N2O2/c1-12(2,3)11(15)13-10-8-6-4-5-7-9(8)16-14-10/h4-7H,1-3H3,(H,13,14,15)
InChIKeySMEVVVCMVAJUOU-UHFFFAOYSA-N
XLogP2.81
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1,2-benzoxazol-3-yl)-2,2-dimethylpropanamide (CID 6623762) is N-(1,2-benzoxazol-3-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1,2-benzoxazol-3-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1noc2ccccc12.
What is the InChIKey of N-(1,2-benzoxazol-3-yl)-2,2-dimethylpropanamide?
The InChIKey is SMEVVVCMVAJUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(2,3)11(15)13-10-8-6-4-5-7-9(8)16-14-10/h4-7H,1-3H3,(H,13,14,15).
What are the key properties of N-(1,2-benzoxazol-3-yl)-2,2-dimethylpropanamide?
N-(1,2-benzoxazol-3-yl)-2,2-dimethylpropanamide has a molecular weight of 218.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 6623762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).