N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide

C18H19N3O3 — CID 18121118

IUPACN'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide
SMILESCN(NC(=O)CCCn1c(=O)oc2ccccc21)c1ccccc1
InChIInChI=1S/C18H19N3O3/c1-20(14-8-3-2-4-9-14)19-17(22)12-7-13-21-15-10-5-6-11-16(15)24-18(21)23/h2-6,8-11H,7,12-13H2,1H3,(H,19,22)
InChIKeyKKIPHGFQYXUPQZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.54
Rot. Bonds6

About N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide

N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide (PubChem CID 18121118) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide.

Molecular Properties

Compound NameN'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide
PubChem CID18121118
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide
SMILESCN(NC(=O)CCCn1c(=O)oc2ccccc21)c1ccccc1
InChIInChI=1S/C18H19N3O3/c1-20(14-8-3-2-4-9-14)19-17(22)12-7-13-21-15-10-5-6-11-16(15)24-18(21)23/h2-6,8-11H,7,12-13H2,1H3,(H,19,22)
InChIKeyKKIPHGFQYXUPQZ-UHFFFAOYSA-N
XLogP2.54
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide?
The IUPAC name of N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide (CID 18121118) is N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide.
What is the SMILES notation for N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide?
The canonical SMILES for N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide is CN(NC(=O)CCCn1c(=O)oc2ccccc21)c1ccccc1.
What is the InChIKey of N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide?
The InChIKey is KKIPHGFQYXUPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-20(14-8-3-2-4-9-14)19-17(22)12-7-13-21-15-10-5-6-11-16(15)24-18(21)23/h2-6,8-11H,7,12-13H2,1H3,(H,19,22).
What are the key properties of N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide?
N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide has a molecular weight of 325.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide is sourced from PubChem (CID 18121118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).