[4-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

C24H31N3O6S — CID 3309766

IUPAC[4-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nc(C(=O)N4COCC4(C)C)cs3)CC2)c(OC)c1OC
InChIInChI=1S/C24H31N3O6S/c1-24(2)13-33-14-27(24)23(29)17-12-34-21(25-17)15-8-10-26(11-9-15)22(28)16-6-7-18(30-3)20(32-5)19(16)31-4/h6-7,12,15H,8-11,13-14H2,1-5H3
InChIKeyYUWBISAKAGJGRP-UHFFFAOYSA-N
MW489.59 g/mol
LogP3.40
Rot. Bonds6

About [4-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

[4-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 3309766) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is [4-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
PubChem CID3309766
Molecular FormulaC24H31N3O6S
Molecular Weight489.59 g/mol
Exact Mass489.19
IUPAC Name[4-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nc(C(=O)N4COCC4(C)C)cs3)CC2)c(OC)c1OC
InChIInChI=1S/C24H31N3O6S/c1-24(2)13-33-14-27(24)23(29)17-12-34-21(25-17)15-8-10-26(11-9-15)22(28)16-6-7-18(30-3)20(32-5)19(16)31-4/h6-7,12,15H,8-11,13-14H2,1-5H3
InChIKeyYUWBISAKAGJGRP-UHFFFAOYSA-N
XLogP3.40
TPSA90.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of [4-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone (CID 3309766) is [4-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for [4-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(c3nc(C(=O)N4COCC4(C)C)cs3)CC2)c(OC)c1OC.
What is the InChIKey of [4-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is YUWBISAKAGJGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6S/c1-24(2)13-33-14-27(24)23(29)17-12-34-21(25-17)15-8-10-26(11-9-15)22(28)16-6-7-18(30-3)20(32-5)19(16)31-4/h6-7,12,15H,8-11,13-14H2,1-5H3.
What are the key properties of [4-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
[4-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 489.59 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 3309766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).