[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone

C17H20N2O3 — CID 5128006

IUPAC[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCCCC2C)no1
InChIInChI=1S/C17H20N2O3/c1-12-7-5-6-10-19(12)17(20)14-11-16(22-18-14)13-8-3-4-9-15(13)21-2/h3-4,8-9,11-12H,5-7,10H2,1-2H3
InChIKeyLIPQKHNFAVRWAY-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.36
Rot. Bonds3

About [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone

[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 5128006) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID5128006
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCCCC2C)no1
InChIInChI=1S/C17H20N2O3/c1-12-7-5-6-10-19(12)17(20)14-11-16(22-18-14)13-8-3-4-9-15(13)21-2/h3-4,8-9,11-12H,5-7,10H2,1-2H3
InChIKeyLIPQKHNFAVRWAY-UHFFFAOYSA-N
XLogP3.36
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone (CID 5128006) is [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone is COc1ccccc1-c1cc(C(=O)N2CCCCC2C)no1.
What is the InChIKey of [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is LIPQKHNFAVRWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-7-5-6-10-19(12)17(20)14-11-16(22-18-14)13-8-3-4-9-15(13)21-2/h3-4,8-9,11-12H,5-7,10H2,1-2H3.
What are the key properties of [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone?
[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 5128006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).