4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide

C14H19N3O2 — CID 115157280

IUPAC4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide
SMILESCN(C(=O)CC(C)(C)CN)c1ccc2ncoc2c1
InChIInChI=1S/C14H19N3O2/c1-14(2,8-15)7-13(18)17(3)10-4-5-11-12(6-10)19-9-16-11/h4-6,9H,7-8,15H2,1-3H3
InChIKeyOXEGKLYDLRQUES-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.17
Rot. Bonds4

About 4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide

4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide (PubChem CID 115157280) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide
PubChem CID115157280
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide
SMILESCN(C(=O)CC(C)(C)CN)c1ccc2ncoc2c1
InChIInChI=1S/C14H19N3O2/c1-14(2,8-15)7-13(18)17(3)10-4-5-11-12(6-10)19-9-16-11/h4-6,9H,7-8,15H2,1-3H3
InChIKeyOXEGKLYDLRQUES-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178685
ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate
CID 115128756
4-[1,3-benzoxazol-6-yl(methyl)amino]-2-methyl-4-oxobutanoic acid
CID 115165031
3-[1,3-benzoxazol-6-yl(methyl)amino]-3-methylbutanoic acid
CID 117042368
4-amino-N-(1,3-benzoxazol-6-yl)-N,2-dimethylbutanamide
CID 115155993
1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide
CID 115182634
3-amino-4-[1,3-benzoxazol-6-yl(methyl)amino]-4-oxobutanoic acid
CID 115181281
N'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204972
3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide
CID 115154699
4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide
CID 115157259
2-N-(1,3-benzoxazol-6-yl)-2-N-methylpropane-1,2-diamine
CID 117039932
methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate
CID 115232814

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide?
The IUPAC name of 4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide (CID 115157280) is 4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for 4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide?
The canonical SMILES for 4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide is CN(C(=O)CC(C)(C)CN)c1ccc2ncoc2c1.
What is the InChIKey of 4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide?
The InChIKey is OXEGKLYDLRQUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,8-15)7-13(18)17(3)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 4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide?
4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide has a molecular weight of 261.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 115157280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).