(3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C22H27N3O4S — CID 53168423

IUPAC(3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(c3nc(C(=O)N4CCSCC4)c(C)o3)CC2)c1
InChIInChI=1S/C22H27N3O4S/c1-15-19(22(27)25-10-12-30-13-11-25)23-20(29-15)16-6-8-24(9-7-16)21(26)17-4-3-5-18(14-17)28-2/h3-5,14,16H,6-13H2,1-2H3
InChIKeyOUINOXJRGAQLTK-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.20
Rot. Bonds4

About (3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone

(3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 53168423) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
PubChem CID53168423
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name(3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(c3nc(C(=O)N4CCSCC4)c(C)o3)CC2)c1
InChIInChI=1S/C22H27N3O4S/c1-15-19(22(27)25-10-12-30-13-11-25)23-20(29-15)16-6-8-24(9-7-16)21(26)17-4-3-5-18(14-17)28-2/h3-5,14,16H,6-13H2,1-2H3
InChIKeyOUINOXJRGAQLTK-UHFFFAOYSA-N
XLogP3.20
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837668
(4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837767
(4-ethoxyphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837791
(3-methoxyphenyl)-[4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 72899208
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 71837826
[4-(1-chloroethyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 106838977
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82244663
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 53168423) is (3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone is COc1cccc(C(=O)N2CCC(c3nc(C(=O)N4CCSCC4)c(C)o3)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is OUINOXJRGAQLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-15-19(22(27)25-10-12-30-13-11-25)23-20(29-15)16-6-8-24(9-7-16)21(26)17-4-3-5-18(14-17)28-2/h3-5,14,16H,6-13H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
(3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 429.54 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 53168423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).