2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide

C11H13N3O2 — CID 60707856

IUPAC2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1nc2ccccc2o1
InChIInChI=1S/C11H13N3O2/c1-14(2)10(15)7-12-11-13-8-5-3-4-6-9(8)16-11/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyKSRJLGMKBORQEK-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.33
Rot. Bonds3

About 2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide

2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide (PubChem CID 60707856) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide
PubChem CID60707856
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1nc2ccccc2o1
InChIInChI=1S/C11H13N3O2/c1-14(2)10(15)7-12-11-13-8-5-3-4-6-9(8)16-11/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyKSRJLGMKBORQEK-UHFFFAOYSA-N
XLogP1.33
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide
CID 47281823
2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide
CID 36581358
3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide
CID 47283189
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708
4-(1,3-benzoxazol-2-ylamino)-2,2-dimethylbutanoic acid
CID 114285537
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
N-(1,3-benzoxazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 60980989
3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid
CID 106108341
N-propyl-1,3-benzoxazol-2-amine
CID 584386
2-[2-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]acetic acid
CID 81313394
methyl 3-(1,3-benzoxazol-2-ylamino)-2-methylpropanoate
CID 67445136
N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide (CID 60707856) is 2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide is CN(C)C(=O)CNc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide?
The InChIKey is KSRJLGMKBORQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-14(2)10(15)7-12-11-13-8-5-3-4-6-9(8)16-11/h3-6H,7H2,1-2H3,(H,12,13).
What are the key properties of 2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide?
2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide has a molecular weight of 219.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide is sourced from PubChem (CID 60707856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).