[4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone

C20H27N3O2 — CID 75380550

IUPAC[4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCc1cnc(CNc2ccc(C(=O)N3CCCC(C)C3)cc2C)o1
InChIInChI=1S/C20H27N3O2/c1-4-17-11-22-19(25-17)12-21-18-8-7-16(10-15(18)3)20(24)23-9-5-6-14(2)13-23/h7-8,10-11,14,21H,4-6,9,12-13H2,1-3H3
InChIKeyPDSIJIOAOJIYMC-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.03
Rot. Bonds5

About [4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone

[4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 75380550) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is [4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID75380550
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name[4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCc1cnc(CNc2ccc(C(=O)N3CCCC(C)C3)cc2C)o1
InChIInChI=1S/C20H27N3O2/c1-4-17-11-22-19(25-17)12-21-18-8-7-16(10-15(18)3)20(24)23-9-5-6-14(2)13-23/h7-8,10-11,14,21H,4-6,9,12-13H2,1-3H3
InChIKeyPDSIJIOAOJIYMC-UHFFFAOYSA-N
XLogP4.03
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone (CID 75380550) is [4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone is CCc1cnc(CNc2ccc(C(=O)N3CCCC(C)C3)cc2C)o1.
What is the InChIKey of [4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is PDSIJIOAOJIYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-17-11-22-19(25-17)12-21-18-8-7-16(10-15(18)3)20(24)23-9-5-6-14(2)13-23/h7-8,10-11,14,21H,4-6,9,12-13H2,1-3H3.
What are the key properties of [4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone?
[4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 341.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 75380550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).