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

C12H15N3O2 — CID 47281823

IUPAC3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nc2ccccc2o1
InChIInChI=1S/C12H15N3O2/c1-15(2)11(16)7-8-13-12-14-9-5-3-4-6-10(9)17-12/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKeyQCMWVCUZZGLDLS-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.72
Rot. Bonds4

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

3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide (PubChem CID 47281823) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide
PubChem CID47281823
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nc2ccccc2o1
InChIInChI=1S/C12H15N3O2/c1-15(2)11(16)7-8-13-12-14-9-5-3-4-6-10(9)17-12/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKeyQCMWVCUZZGLDLS-UHFFFAOYSA-N
XLogP1.72
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide
CID 47283189
2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide
CID 60707856
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708
N,N-dimethyl-3-[(6-nitro-1,3-benzoxazol-2-yl)amino]propanamide
CID 79882379
4-(1,3-benzoxazol-2-ylamino)-2,2-dimethylbutanoic acid
CID 114285537
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N-(1,3-benzoxazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 60980989
3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide
CID 103204116
3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid
CID 106108341
methyl 3-(1,3-benzoxazol-2-ylamino)-2-methylpropanoate
CID 67445136
2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide
CID 36581358
N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63318578

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide (CID 47281823) is 3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide?
The InChIKey is QCMWVCUZZGLDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15(2)11(16)7-8-13-12-14-9-5-3-4-6-10(9)17-12/h3-6H,7-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide?
3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide has a molecular weight of 233.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 47281823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).