(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone

C18H18N4O2 — CID 71869146

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CC(n2cccn2)Cc2ccccc21
InChIInChI=1S/C18H18N4O2/c1-12-17(13(2)24-20-12)18(23)21-11-15(22-9-5-8-19-22)10-14-6-3-4-7-16(14)21/h3-9,15H,10-11H2,1-2H3
InChIKeyXIQPXPDFNNWTQZ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.93
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 71869146) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID71869146
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CC(n2cccn2)Cc2ccccc21
InChIInChI=1S/C18H18N4O2/c1-12-17(13(2)24-20-12)18(23)21-11-15(22-9-5-8-19-22)10-14-6-3-4-7-16(14)21/h3-9,15H,10-11H2,1-2H3
InChIKeyXIQPXPDFNNWTQZ-UHFFFAOYSA-N
XLogP2.93
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 71869146) is (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1noc(C)c1C(=O)N1CC(n2cccn2)Cc2ccccc21.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is XIQPXPDFNNWTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-17(13(2)24-20-12)18(23)21-11-15(22-9-5-8-19-22)10-14-6-3-4-7-16(14)21/h3-9,15H,10-11H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 71869146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).