(5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone

C20H21N3O3 — CID 110132081

IUPAC(5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
SMILESCc1ocnc1C(=O)N1CCOCC(Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C20H21N3O3/c1-14-19(22-13-26-14)20(24)23-7-8-25-12-16(11-23)9-15-4-5-18-17(10-15)3-2-6-21-18/h2-6,10,13,16H,7-9,11-12H2,1H3
InChIKeyORZRDJBTJBDHHN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.86
Rot. Bonds3

About (5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone

(5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone (PubChem CID 110132081) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
PubChem CID110132081
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
SMILESCc1ocnc1C(=O)N1CCOCC(Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C20H21N3O3/c1-14-19(22-13-26-14)20(24)23-7-8-25-12-16(11-23)9-15-4-5-18-17(10-15)3-2-6-21-18/h2-6,10,13,16H,7-9,11-12H2,1H3
InChIKeyORZRDJBTJBDHHN-UHFFFAOYSA-N
XLogP2.86
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone with MolForge

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Related Compounds

(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124967795
pyrimidin-2-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125019888
(5-methylpyrazin-2-yl)-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124969677
(2-methylpyrimidin-4-yl)-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124950849
(6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110131996
pyridazin-4-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124963997
[2-(piperidin-1-ylmethyl)phenyl]-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124989355
(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124966699
(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
(6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 124969600
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The IUPAC name of (5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone (CID 110132081) is (5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for (5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for (5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone is Cc1ocnc1C(=O)N1CCOCC(Cc2ccc3ncccc3c2)C1.
What is the InChIKey of (5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The InChIKey is ORZRDJBTJBDHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-19(22-13-26-14)20(24)23-7-8-25-12-16(11-23)9-15-4-5-18-17(10-15)3-2-6-21-18/h2-6,10,13,16H,7-9,11-12H2,1H3.
What are the key properties of (5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone?
(5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 110132081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).