N-(1,3-oxazol-2-ylmethyl)quinoline-2-carboxamide

C14H11N3O2 — CID 141469341

IUPACN-(1,3-oxazol-2-ylmethyl)quinoline-2-carboxamide
SMILESO=C(NCc1ncco1)c1ccc2ccccc2n1
InChIInChI=1S/C14H11N3O2/c18-14(16-9-13-15-7-8-19-13)12-6-5-10-3-1-2-4-11(10)17-12/h1-8H,9H2,(H,16,18)
InChIKeyORCWSKRHXWCQOS-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.15
Rot. Bonds3

About N-(1,3-oxazol-2-ylmethyl)quinoline-2-carboxamide

N-(1,3-oxazol-2-ylmethyl)quinoline-2-carboxamide (PubChem CID 141469341) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(1,3-oxazol-2-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-oxazol-2-ylmethyl)quinoline-2-carboxamide
PubChem CID141469341
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC NameN-(1,3-oxazol-2-ylmethyl)quinoline-2-carboxamide
SMILESO=C(NCc1ncco1)c1ccc2ccccc2n1
InChIInChI=1S/C14H11N3O2/c18-14(16-9-13-15-7-8-19-13)12-6-5-10-3-1-2-4-11(10)17-12/h1-8H,9H2,(H,16,18)
InChIKeyORCWSKRHXWCQOS-UHFFFAOYSA-N
XLogP2.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-2-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of N-(1,3-oxazol-2-ylmethyl)quinoline-2-carboxamide (CID 141469341) is N-(1,3-oxazol-2-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(1,3-oxazol-2-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for N-(1,3-oxazol-2-ylmethyl)quinoline-2-carboxamide is O=C(NCc1ncco1)c1ccc2ccccc2n1.
What is the InChIKey of N-(1,3-oxazol-2-ylmethyl)quinoline-2-carboxamide?
The InChIKey is ORCWSKRHXWCQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14(16-9-13-15-7-8-19-13)12-6-5-10-3-1-2-4-11(10)17-12/h1-8H,9H2,(H,16,18).
What are the key properties of N-(1,3-oxazol-2-ylmethyl)quinoline-2-carboxamide?
N-(1,3-oxazol-2-ylmethyl)quinoline-2-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-2-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 141469341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).