5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide

C19H17N5O2 — CID 75372840

IUPAC5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)Nc1ccn(Cc2cccc3cccnc23)n1
InChIInChI=1S/C19H17N5O2/c1-2-15-18(21-12-26-15)19(25)22-16-8-10-24(23-16)11-14-6-3-5-13-7-4-9-20-17(13)14/h3-10,12H,2,11H2,1H3,(H,22,23,25)
InChIKeyBKAQXPOBUUUUNU-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.28
Rot. Bonds5

About 5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide

5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 75372840) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID75372840
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)Nc1ccn(Cc2cccc3cccnc23)n1
InChIInChI=1S/C19H17N5O2/c1-2-15-18(21-12-26-15)19(25)22-16-8-10-24(23-16)11-14-6-3-5-13-7-4-9-20-17(13)14/h3-10,12H,2,11H2,1H3,(H,22,23,25)
InChIKeyBKAQXPOBUUUUNU-UHFFFAOYSA-N
XLogP3.28
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]cyclopentanecarboxamide
CID 49011537
1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea
CID 146076553
1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide
CID 71259684
3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462053
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19398605
4-nitro-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 48928565
(2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 95344598
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
CID 19394819
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623056
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 39341702
6-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 47089636

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide (CID 75372840) is 5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)Nc1ccn(Cc2cccc3cccnc23)n1.
What is the InChIKey of 5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is BKAQXPOBUUUUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-2-15-18(21-12-26-15)19(25)22-16-8-10-24(23-16)11-14-6-3-5-13-7-4-9-20-17(13)14/h3-10,12H,2,11H2,1H3,(H,22,23,25).
What are the key properties of 5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide?
5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 75372840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).