2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide

C14H17N3O2 — CID 8910060

IUPAC2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)Cc1nc2ccccc2o1
InChIInChI=1S/C14H17N3O2/c1-17(8-13(18)15-10-6-7-10)9-14-16-11-4-2-3-5-12(11)19-14/h2-5,10H,6-9H2,1H3,(H,15,18)
InChIKeyLDHUBIOBQPVSHY-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.54
Rot. Bonds5

About 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide

2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide (PubChem CID 8910060) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide
PubChem CID8910060
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)Cc1nc2ccccc2o1
InChIInChI=1S/C14H17N3O2/c1-17(8-13(18)15-10-6-7-10)9-14-16-11-4-2-3-5-12(11)19-14/h2-5,10H,6-9H2,1H3,(H,15,18)
InChIKeyLDHUBIOBQPVSHY-UHFFFAOYSA-N
XLogP1.54
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9348567
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4806660
N-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide
CID 9053294
2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide
CID 45214897
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 43575631
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid
CID 64567705
1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea
CID 110747198
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
2-[(3-amino-2-phenylpropyl)-methylamino]-N-cyclopropylacetamide
CID 43575619
methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate
CID 8910715
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide
CID 7756295
3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 39754999

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide (CID 8910060) is 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)Cc1nc2ccccc2o1.
What is the InChIKey of 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide?
The InChIKey is LDHUBIOBQPVSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17(8-13(18)15-10-6-7-10)9-14-16-11-4-2-3-5-12(11)19-14/h2-5,10H,6-9H2,1H3,(H,15,18).
What are the key properties of 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide?
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide has a molecular weight of 259.31 g/mol, XLogP of 1.54, 5 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-ylmethyl(methyl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 8910060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).