N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

C16H15N3O3 — CID 97122025

IUPACN-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESC[C@H](c1ccon1)N(C)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H15N3O3/c1-10(13-7-8-22-18-13)19(2)16(21)12-9-15(20)17-14-6-4-3-5-11(12)14/h3-10H,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyOGNBFGZYCGRGJK-SNVBAGLBSA-N
MW297.31 g/mol
LogP2.35
Rot. Bonds3

About N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 97122025) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID97122025
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESC[C@H](c1ccon1)N(C)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H15N3O3/c1-10(13-7-8-22-18-13)19(2)16(21)12-9-15(20)17-14-6-4-3-5-11(12)14/h3-10H,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyOGNBFGZYCGRGJK-SNVBAGLBSA-N
XLogP2.35
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 97122025) is N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is C[C@H](c1ccon1)N(C)C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is OGNBFGZYCGRGJK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10(13-7-8-22-18-13)19(2)16(21)12-9-15(20)17-14-6-4-3-5-11(12)14/h3-10H,1-2H3,(H,17,20)/t10-/m1/s1.
What are the key properties of N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97122025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).