[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone

C19H24N2O3 — CID 25163309

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1noc(C)c1COc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H24N2O3/c1-13-8-10-21(11-9-13)19(22)16-4-6-17(7-5-16)23-12-18-14(2)20-24-15(18)3/h4-7,13H,8-12H2,1-3H3
InChIKeyRNTQUHOVVIKBRL-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.74
Rot. Bonds4

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 25163309) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID25163309
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1noc(C)c1COc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H24N2O3/c1-13-8-10-21(11-9-13)19(22)16-4-6-17(7-5-16)23-12-18-14(2)20-24-15(18)3/h4-7,13H,8-12H2,1-3H3
InChIKeyRNTQUHOVVIKBRL-UHFFFAOYSA-N
XLogP3.74
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 25163309) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone is Cc1noc(C)c1COc1ccc(C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is RNTQUHOVVIKBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-8-10-21(11-9-13)19(22)16-4-6-17(7-5-16)23-12-18-14(2)20-24-15(18)3/h4-7,13H,8-12H2,1-3H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 328.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 25163309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).