3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide

C11H13N3O2 — CID 116845001

IUPAC3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide
SMILESCN(N)C(=O)CCc1ccc2ncoc2c1
InChIInChI=1S/C11H13N3O2/c1-14(12)11(15)5-3-8-2-4-9-10(6-8)16-7-13-9/h2,4,6-7H,3,5,12H2,1H3
InChIKeyULKGTDMBOBFUKH-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.09
Rot. Bonds3

About 3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide

3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide (PubChem CID 116845001) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide
PubChem CID116845001
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide
SMILESCN(N)C(=O)CCc1ccc2ncoc2c1
InChIInChI=1S/C11H13N3O2/c1-14(12)11(15)5-3-8-2-4-9-10(6-8)16-7-13-9/h2,4,6-7H,3,5,12H2,1H3
InChIKeyULKGTDMBOBFUKH-UHFFFAOYSA-N
XLogP1.09
TPSA72.36 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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 115152114
4-(1,3-benzoxazol-6-yl)-2-methylbutanoic acid
CID 116926938
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-cyano-N-methylformamide
CID 115172688
[2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol
CID 115229523
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-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
5-[1,3-benzoxazol-6-ylmethyl(methyl)amino]pentan-2-one
CID 115236616
1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea
CID 115169274
N-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide
CID 115272460
4-[2-(1,3-benzoxazol-6-yl)ethylamino]-4-oxobutanoic acid
CID 115163729
1-N-(1,3-benzoxazol-6-ylmethyl)-1-N-methylbutane-1,3-diamine
CID 115199442

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide?
The IUPAC name of 3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide (CID 116845001) is 3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide.
What is the SMILES notation for 3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide?
The canonical SMILES for 3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide is CN(N)C(=O)CCc1ccc2ncoc2c1.
What is the InChIKey of 3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide?
The InChIKey is ULKGTDMBOBFUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-14(12)11(15)5-3-8-2-4-9-10(6-8)16-7-13-9/h2,4,6-7H,3,5,12H2,1H3.
What are the key properties of 3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide?
3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide has a molecular weight of 219.24 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide is sourced from PubChem (CID 116845001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).