3-[3-(1,3-oxazol-2-yl)prop-1-ynyl]quinolin-4-amine

C15H11N3O — CID 175929612

IUPAC3-[3-(1,3-oxazol-2-yl)prop-1-ynyl]quinolin-4-amine
SMILESNc1c(C#CCc2ncco2)cnc2ccccc12
InChIInChI=1S/C15H11N3O/c16-15-11(4-3-7-14-17-8-9-19-14)10-18-13-6-2-1-5-12(13)15/h1-2,5-6,8-10H,7H2,(H2,16,18)
InChIKeyVWSPSRGULMXURE-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.40
Rot. Bonds1

About 3-[3-(1,3-oxazol-2-yl)prop-1-ynyl]quinolin-4-amine

3-[3-(1,3-oxazol-2-yl)prop-1-ynyl]quinolin-4-amine (PubChem CID 175929612) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-[3-(1,3-oxazol-2-yl)prop-1-ynyl]quinolin-4-amine.

Molecular Properties

Compound Name3-[3-(1,3-oxazol-2-yl)prop-1-ynyl]quinolin-4-amine
PubChem CID175929612
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name3-[3-(1,3-oxazol-2-yl)prop-1-ynyl]quinolin-4-amine
SMILESNc1c(C#CCc2ncco2)cnc2ccccc12
InChIInChI=1S/C15H11N3O/c16-15-11(4-3-7-14-17-8-9-19-14)10-18-13-6-2-1-5-12(13)15/h1-2,5-6,8-10H,7H2,(H2,16,18)
InChIKeyVWSPSRGULMXURE-UHFFFAOYSA-N
XLogP2.40
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Oxazolylquinazoline
CID 132275619
N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-2-carboxamide
CID 137434606
2-[4-[(7-Fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol
CID 167200255
2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole
CID 175960572
1-(1,3-Oxazol-2-yl)-4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]butan-1-one
CID 16747359
1,3-Oxazol-2-yl-[1-(quinolin-3-ylmethyl)piperidin-4-yl]methanone
CID 23725798
4-(1,3-Oxazol-2-yl)-4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]butanal
CID 91392096
N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 141048929
N-(1,3-oxazol-2-ylmethyl)quinoline-2-carboxamide
CID 141469341
Acridine;1,3-oxazole
CID 158417273
N-[[3-(aminomethyl)phenyl]methyl]-N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 159097399
1,3-Oxazole;quinolin-2-amine
CID 159388854

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3-oxazol-2-yl)prop-1-ynyl]quinolin-4-amine?
The IUPAC name of 3-[3-(1,3-oxazol-2-yl)prop-1-ynyl]quinolin-4-amine (CID 175929612) is 3-[3-(1,3-oxazol-2-yl)prop-1-ynyl]quinolin-4-amine.
What is the SMILES notation for 3-[3-(1,3-oxazol-2-yl)prop-1-ynyl]quinolin-4-amine?
The canonical SMILES for 3-[3-(1,3-oxazol-2-yl)prop-1-ynyl]quinolin-4-amine is Nc1c(C#CCc2ncco2)cnc2ccccc12.
What is the InChIKey of 3-[3-(1,3-oxazol-2-yl)prop-1-ynyl]quinolin-4-amine?
The InChIKey is VWSPSRGULMXURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c16-15-11(4-3-7-14-17-8-9-19-14)10-18-13-6-2-1-5-12(13)15/h1-2,5-6,8-10H,7H2,(H2,16,18).
What are the key properties of 3-[3-(1,3-oxazol-2-yl)prop-1-ynyl]quinolin-4-amine?
3-[3-(1,3-oxazol-2-yl)prop-1-ynyl]quinolin-4-amine has a molecular weight of 249.27 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3-oxazol-2-yl)prop-1-ynyl]quinolin-4-amine is sourced from PubChem (CID 175929612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).