3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide

C14H19N3O2 — CID 115154699

IUPAC3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide
SMILESCN(Cc1ccc2ncoc2c1)C(=O)C(C)(C)CN
InChIInChI=1S/C14H19N3O2/c1-14(2,8-15)13(18)17(3)7-10-4-5-11-12(6-10)19-9-16-11/h4-6,9H,7-8,15H2,1-3H3
InChIKeyUJUFOFNQBMVLOU-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.77
Rot. Bonds4

About 3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide

3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide (PubChem CID 115154699) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide
PubChem CID115154699
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide
SMILESCN(Cc1ccc2ncoc2c1)C(=O)C(C)(C)CN
InChIInChI=1S/C14H19N3O2/c1-14(2,8-15)13(18)17(3)7-10-4-5-11-12(6-10)19-9-16-11/h4-6,9H,7-8,15H2,1-3H3
InChIKeyUJUFOFNQBMVLOU-UHFFFAOYSA-N
XLogP1.77
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide
CID 115153296
3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N-methylbutanamide
CID 115154285
1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea
CID 115169274
N'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204972
methyl 2-[1,3-benzoxazol-6-ylmethyl(methyl)amino]-2-oxoacetate
CID 115142491
2-[1,3-benzoxazol-6-ylmethyl(methyl)amino]cyclopropane-1-carboxylic acid
CID 117042722
5-[1,3-benzoxazol-6-ylmethyl(methyl)amino]pentan-2-one
CID 115236616
3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide
CID 116845001
3-amino-4-[1,3-benzoxazol-6-ylmethyl(methyl)amino]butanoic acid
CID 115241766
N-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide
CID 115272460
1-N-(1,3-benzoxazol-6-ylmethyl)-1-N-methylbutane-1,3-diamine
CID 115199442
4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide
CID 115157280

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide (CID 115154699) is 3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide is CN(Cc1ccc2ncoc2c1)C(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide?
The InChIKey is UJUFOFNQBMVLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,8-15)13(18)17(3)7-10-4-5-11-12(6-10)19-9-16-11/h4-6,9H,7-8,15H2,1-3H3.
What are the key properties of 3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide?
3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 115154699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).