(5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone

C21H23N3O2 — CID 110111851

IUPAC(5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
SMILESCc1ocnc1C(=O)N1CCCC(Cc2cccc3ncccc23)CC1
InChIInChI=1S/C21H23N3O2/c1-15-20(23-14-26-15)21(25)24-11-4-5-16(9-12-24)13-17-6-2-8-19-18(17)7-3-10-22-19/h2-3,6-8,10,14,16H,4-5,9,11-13H2,1H3
InChIKeyNCYZMEZNIOXWPS-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.02
Rot. Bonds3

About (5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone

(5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone (PubChem CID 110111851) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
PubChem CID110111851
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
SMILESCc1ocnc1C(=O)N1CCCC(Cc2cccc3ncccc23)CC1
InChIInChI=1S/C21H23N3O2/c1-15-20(23-14-26-15)21(25)24-11-4-5-16(9-12-24)13-17-6-2-8-19-18(17)7-3-10-22-19/h2-3,6-8,10,14,16H,4-5,9,11-13H2,1H3
InChIKeyNCYZMEZNIOXWPS-UHFFFAOYSA-N
XLogP4.02
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone with MolForge

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Related Compounds

(5-methyl-1,3-oxazol-4-yl)-[(4R)-4-(quinolin-8-ylmethyl)azepan-1-yl]methanone
CID 124997008
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124951283
pyridazin-4-yl-[(4S)-4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 125000665
(2-methylpyrimidin-5-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124966364
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124967795
pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124970603
(5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 175652174
(2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110111683
(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 124963940
(4-methyl-1,3-oxazol-5-yl)-[4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 110098792
(2-methoxy-3-pyridinyl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124982563
[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 125024184

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone?
The IUPAC name of (5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone (CID 110111851) is (5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone?
The canonical SMILES for (5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone is Cc1ocnc1C(=O)N1CCCC(Cc2cccc3ncccc23)CC1.
What is the InChIKey of (5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone?
The InChIKey is NCYZMEZNIOXWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-20(23-14-26-15)21(25)24-11-4-5-16(9-12-24)13-17-6-2-8-19-18(17)7-3-10-22-19/h2-3,6-8,10,14,16H,4-5,9,11-13H2,1H3.
What are the key properties of (5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone?
(5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone is sourced from PubChem (CID 110111851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).