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3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H19N3O2 — CID 155957462

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NN1CCCc2ccccc21)C1CC(C2CC2)=NO1
InChIInChI=1S/C16H19N3O2/c20-16(15-10-13(18-21-15)11-7-8-11)17-19-9-3-5-12-4-1-2-6-14(12)19/h1-2,4,6,11,15H,3,5,7-10H2,(H,17,20)
InChIKeyDGEHCJLFANMVGY-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.03
Rot. Bonds3

About 3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 155957462) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID155957462
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NN1CCCc2ccccc21)C1CC(C2CC2)=NO1
InChIInChI=1S/C16H19N3O2/c20-16(15-10-13(18-21-15)11-7-8-11)17-19-9-3-5-12-4-1-2-6-14(12)19/h1-2,4,6,11,15H,3,5,7-10H2,(H,17,20)
InChIKeyDGEHCJLFANMVGY-UHFFFAOYSA-N
XLogP2.03
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 155957462) is 3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NN1CCCc2ccccc21)C1CC(C2CC2)=NO1.
What is the InChIKey of 3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is DGEHCJLFANMVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(15-10-13(18-21-15)11-7-8-11)17-19-9-3-5-12-4-1-2-6-14(12)19/h1-2,4,6,11,15H,3,5,7-10H2,(H,17,20).
What are the key properties of 3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155957462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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