(5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone

C16H18N2O4 — CID 162795641

IUPAC(5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone
SMILESCc1cc(C(=O)N2CCOCC(Oc3ccccc3)C2)no1
InChIInChI=1S/C16H18N2O4/c1-12-9-15(17-22-12)16(19)18-7-8-20-11-14(10-18)21-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11H2,1H3
InChIKeyMCPAHRJGBPSVLH-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.90
Rot. Bonds3

About (5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone

(5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone (PubChem CID 162795641) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone
PubChem CID162795641
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone
SMILESCc1cc(C(=O)N2CCOCC(Oc3ccccc3)C2)no1
InChIInChI=1S/C16H18N2O4/c1-12-9-15(17-22-12)16(19)18-7-8-20-11-14(10-18)21-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11H2,1H3
InChIKeyMCPAHRJGBPSVLH-UHFFFAOYSA-N
XLogP1.90
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone
CID 75411596
[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone
CID 75411635
2-[(3S,4S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-phenoxypiperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110078284
(2-ethyl-5-methylpyrazol-3-yl)-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone
CID 75367743
(3-methoxyphenyl)-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone
CID 75411585
(2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone
CID 162813442
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129355047
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121017571
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 122250028
(5-methyl-1,2-oxazol-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627189
[(3S)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129373838
1-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110645731

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone (CID 162795641) is (5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone is Cc1cc(C(=O)N2CCOCC(Oc3ccccc3)C2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone?
The InChIKey is MCPAHRJGBPSVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-12-9-15(17-22-12)16(19)18-7-8-20-11-14(10-18)21-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone?
(5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone has a molecular weight of 302.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 162795641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).