5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide

C15H16N4O3 — CID 166283425

IUPAC5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide
SMILESCc1ocnc1C(=O)NNC(=O)c1cnc2c(c1)CCCC2
InChIInChI=1S/C15H16N4O3/c1-9-13(17-8-22-9)15(21)19-18-14(20)11-6-10-4-2-3-5-12(10)16-7-11/h6-8H,2-5H2,1H3,(H,18,20)(H,19,21)
InChIKeyRMZHWLHMWCKQSS-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.33
Rot. Bonds2

About 5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide

5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide (PubChem CID 166283425) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide
PubChem CID166283425
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide
SMILESCc1ocnc1C(=O)NNC(=O)c1cnc2c(c1)CCCC2
InChIInChI=1S/C15H16N4O3/c1-9-13(17-8-22-9)15(21)19-18-14(20)11-6-10-4-2-3-5-12(10)16-7-11/h6-8H,2-5H2,1H3,(H,18,20)(H,19,21)
InChIKeyRMZHWLHMWCKQSS-UHFFFAOYSA-N
XLogP1.33
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide?
The IUPAC name of 5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide (CID 166283425) is 5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide is Cc1ocnc1C(=O)NNC(=O)c1cnc2c(c1)CCCC2.
What is the InChIKey of 5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide?
The InChIKey is RMZHWLHMWCKQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9-13(17-8-22-9)15(21)19-18-14(20)11-6-10-4-2-3-5-12(10)16-7-11/h6-8H,2-5H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide?
5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide has a molecular weight of 300.32 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide is sourced from PubChem (CID 166283425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).