N-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine

C12H10N4O — CID 114186432

IUPACN-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine
SMILESc1ccc2c(NCc3ccno3)cnnc2c1
InChIInChI=1S/C12H10N4O/c1-2-4-11-10(3-1)12(8-14-16-11)13-7-9-5-6-15-17-9/h1-6,8H,7H2,(H,13,16)
InChIKeyXBWPDSJNFBHINP-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.23
Rot. Bonds3

About N-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine

N-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine (PubChem CID 114186432) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine
PubChem CID114186432
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC NameN-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine
SMILESc1ccc2c(NCc3ccno3)cnnc2c1
InChIInChI=1S/C12H10N4O/c1-2-4-11-10(3-1)12(8-14-16-11)13-7-9-5-6-15-17-9/h1-6,8H,7H2,(H,13,16)
InChIKeyXBWPDSJNFBHINP-UHFFFAOYSA-N
XLogP2.23
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine (CID 114186432) is N-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine is c1ccc2c(NCc3ccno3)cnnc2c1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine?
The InChIKey is XBWPDSJNFBHINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-2-4-11-10(3-1)12(8-14-16-11)13-7-9-5-6-15-17-9/h1-6,8H,7H2,(H,13,16).
What are the key properties of N-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine?
N-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine has a molecular weight of 226.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine is sourced from PubChem (CID 114186432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).