(2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone

C19H25N3O4 — CID 162813442

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCOCC(Oc2ccc(OC)cc2)C1
InChIInChI=1S/C19H25N3O4/c1-4-22-18(11-14(2)20-22)19(23)21-9-10-25-13-17(12-21)26-16-7-5-15(24-3)6-8-16/h5-8,11,17H,4,9-10,12-13H2,1-3H3
InChIKeySKYRTWHOUNBFNG-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.14
Rot. Bonds5

About (2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone

(2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone (PubChem CID 162813442) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone
PubChem CID162813442
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCOCC(Oc2ccc(OC)cc2)C1
InChIInChI=1S/C19H25N3O4/c1-4-22-18(11-14(2)20-22)19(23)21-9-10-25-13-17(12-21)26-16-7-5-15(24-3)6-8-16/h5-8,11,17H,4,9-10,12-13H2,1-3H3
InChIKeySKYRTWHOUNBFNG-UHFFFAOYSA-N
XLogP2.14
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone with MolForge

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Related Compounds

(2-ethyl-5-methylpyrazol-3-yl)-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone
CID 75367743
[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone
CID 75411635
1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone
CID 75411631
(5-methyl-1,2-oxazol-3-yl)-(6-phenoxy-1,4-oxazepan-4-yl)methanone
CID 162795641
[2-(bromomethyl)morpholin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 81210351
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
(3-methoxyphenyl)-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone
CID 75411585
(2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone
CID 162881028
1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide
CID 64867620
ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 81338249
(6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone
CID 162818233
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 103575707

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone (CID 162813442) is (2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone is CCn1nc(C)cc1C(=O)N1CCOCC(Oc2ccc(OC)cc2)C1.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone?
The InChIKey is SKYRTWHOUNBFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-4-22-18(11-14(2)20-22)19(23)21-9-10-25-13-17(12-21)26-16-7-5-15(24-3)6-8-16/h5-8,11,17H,4,9-10,12-13H2,1-3H3.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone?
(2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone has a molecular weight of 359.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 162813442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).