N-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide

C19H19ClN4O2 — CID 46234787

IUPACN-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1nocc1Cl)N1CCC(Cc2cnc3ccccc3c2)CC1
InChIInChI=1S/C19H19ClN4O2/c20-16-12-26-23-18(16)22-19(25)24-7-5-13(6-8-24)9-14-10-15-3-1-2-4-17(15)21-11-14/h1-4,10-13H,5-9H2,(H,22,23,25)
InChIKeyYUCZPSGTBAOOQJ-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.36
Rot. Bonds3

About N-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide

N-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide (PubChem CID 46234787) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
PubChem CID46234787
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC NameN-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1nocc1Cl)N1CCC(Cc2cnc3ccccc3c2)CC1
InChIInChI=1S/C19H19ClN4O2/c20-16-12-26-23-18(16)22-19(25)24-7-5-13(6-8-24)9-14-10-15-3-1-2-4-17(15)21-11-14/h1-4,10-13H,5-9H2,(H,22,23,25)
InChIKeyYUCZPSGTBAOOQJ-UHFFFAOYSA-N
XLogP4.36
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide (CID 46234787) is N-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide is O=C(Nc1nocc1Cl)N1CCC(Cc2cnc3ccccc3c2)CC1.
What is the InChIKey of N-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide?
The InChIKey is YUCZPSGTBAOOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c20-16-12-26-23-18(16)22-19(25)24-7-5-13(6-8-24)9-14-10-15-3-1-2-4-17(15)21-11-14/h1-4,10-13H,5-9H2,(H,22,23,25).
What are the key properties of N-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide?
N-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 46234787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).