2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide

C11H14N4O3 — CID 116849572

IUPAC2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide
SMILESCNNC(=O)C(N)Cc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C11H14N4O3/c1-13-15-10(16)7(12)4-6-2-3-8-9(5-6)18-11(17)14-8/h2-3,5,7,13H,4,12H2,1H3,(H,14,17)(H,15,16)
InChIKeyUTRIRXMOCVPIHM-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.76
Rot. Bonds4

About 2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide

2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide (PubChem CID 116849572) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide.

Molecular Properties

Compound Name2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide
PubChem CID116849572
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide
SMILESCNNC(=O)C(N)Cc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C11H14N4O3/c1-13-15-10(16)7(12)4-6-2-3-8-9(5-6)18-11(17)14-8/h2-3,5,7,13H,4,12H2,1H3,(H,14,17)(H,15,16)
InChIKeyUTRIRXMOCVPIHM-UHFFFAOYSA-N
XLogP-0.76
TPSA113.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate
CID 82351441
6-(3-aminobutyl)-3H-1,3-benzoxazol-2-one
CID 82492156
2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110792023
2-amino-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanoic acid;hydrochloride
CID 70618768
2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 115140966
6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride
CID 122164517
6-[2-(aminomethyl)-3-methylbutyl]-3H-1,3-benzoxazol-2-one
CID 116931128
1,3-dimethyl-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]urea
CID 115169282
N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide
CID 116846784
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786464
6-[[methyl(3-oxobutyl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 115235843
N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786460

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide?
The IUPAC name of 2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide (CID 116849572) is 2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide.
What is the SMILES notation for 2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide?
The canonical SMILES for 2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide is CNNC(=O)C(N)Cc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide?
The InChIKey is UTRIRXMOCVPIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-13-15-10(16)7(12)4-6-2-3-8-9(5-6)18-11(17)14-8/h2-3,5,7,13H,4,12H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide?
2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide has a molecular weight of 250.26 g/mol, XLogP of -0.76, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide is sourced from PubChem (CID 116849572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).