N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C15H17N3O3 — CID 75395394

IUPACN-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCc1ocnc1CNC(=O)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C15H17N3O3/c1-9-13(17-8-21-9)7-16-14(19)11-6-10-4-2-3-5-12(10)18-15(11)20/h6,8H,2-5,7H2,1H3,(H,16,19)(H,18,20)
InChIKeyHPZVWJVDIBMUBO-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.48
Rot. Bonds3

About N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 75395394) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID75395394
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCc1ocnc1CNC(=O)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C15H17N3O3/c1-9-13(17-8-21-9)7-16-14(19)11-6-10-4-2-3-5-12(10)18-15(11)20/h6,8H,2-5,7H2,1H3,(H,16,19)(H,18,20)
InChIKeyHPZVWJVDIBMUBO-UHFFFAOYSA-N
XLogP1.48
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 75395394) is N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is Cc1ocnc1CNC(=O)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is HPZVWJVDIBMUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-13(17-8-21-9)7-16-14(19)11-6-10-4-2-3-5-12(10)18-15(11)20/h6,8H,2-5,7H2,1H3,(H,16,19)(H,18,20).
What are the key properties of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 75395394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).