1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide

C14H13N5O2 — CID 81178122

IUPAC1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide
SMILESNNc1nc(C(=O)NCc2ccon2)cc2ccccc12
InChIInChI=1S/C14H13N5O2/c15-18-13-11-4-2-1-3-9(11)7-12(17-13)14(20)16-8-10-5-6-21-19-10/h1-7H,8,15H2,(H,16,20)(H,17,18)
InChIKeyWWFLVGVOXBVVRI-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.44
Rot. Bonds4

About 1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide

1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide (PubChem CID 81178122) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide
PubChem CID81178122
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide
SMILESNNc1nc(C(=O)NCc2ccon2)cc2ccccc12
InChIInChI=1S/C14H13N5O2/c15-18-13-11-4-2-1-3-9(11)7-12(17-13)14(20)16-8-10-5-6-21-19-10/h1-7H,8,15H2,(H,16,20)(H,17,18)
InChIKeyWWFLVGVOXBVVRI-UHFFFAOYSA-N
XLogP1.44
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide
CID 62249892
1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62243238
3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide
CID 81171002
1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide
CID 62915996
4-amino-N-(1,2-oxazol-3-ylmethyl)pyridine-2-carboxamide
CID 81174448
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 81170503
5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 81170386
1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide
CID 62242496
1-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]isoquinoline-3-carboxamide
CID 62249172
1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62171984
N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide
CID 62242128

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide?
The IUPAC name of 1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide (CID 81178122) is 1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide.
What is the SMILES notation for 1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide?
The canonical SMILES for 1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide is NNc1nc(C(=O)NCc2ccon2)cc2ccccc12.
What is the InChIKey of 1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide?
The InChIKey is WWFLVGVOXBVVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-18-13-11-4-2-1-3-9(11)7-12(17-13)14(20)16-8-10-5-6-21-19-10/h1-7H,8,15H2,(H,16,20)(H,17,18).
What are the key properties of 1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide?
1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide is sourced from PubChem (CID 81178122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).