1,3-oxazole;quinolin-2-amine

C12H11N3O — CID 159388854

IUPAC1,3-oxazole;quinolin-2-amine
SMILESNc1ccc2ccccc2n1.c1cocn1
InChIInChI=1S/C9H8N2.C3H3NO/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-2-5-3-4-1/h1-6H,(H2,10,11);1-3H
InChIKeyLLVVZLHSHXXPJB-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.49
Rot. Bonds

About 1,3-oxazole;quinolin-2-amine

1,3-oxazole;quinolin-2-amine (PubChem CID 159388854) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 1,3-oxazole;quinolin-2-amine.

Molecular Properties

Compound Name1,3-oxazole;quinolin-2-amine
PubChem CID159388854
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name1,3-oxazole;quinolin-2-amine
SMILESNc1ccc2ccccc2n1.c1cocn1
InChIInChI=1S/C9H8N2.C3H3NO/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-2-5-3-4-1/h1-6H,(H2,10,11);1-3H
InChIKeyLLVVZLHSHXXPJB-UHFFFAOYSA-N
XLogP2.49
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole;quinolin-2-amine?
The IUPAC name of 1,3-oxazole;quinolin-2-amine (CID 159388854) is 1,3-oxazole;quinolin-2-amine.
What is the SMILES notation for 1,3-oxazole;quinolin-2-amine?
The canonical SMILES for 1,3-oxazole;quinolin-2-amine is Nc1ccc2ccccc2n1.c1cocn1.
What is the InChIKey of 1,3-oxazole;quinolin-2-amine?
The InChIKey is LLVVZLHSHXXPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C3H3NO/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-2-5-3-4-1/h1-6H,(H2,10,11);1-3H.
What are the key properties of 1,3-oxazole;quinolin-2-amine?
1,3-oxazole;quinolin-2-amine has a molecular weight of 213.24 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole;quinolin-2-amine is sourced from PubChem (CID 159388854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).