ethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate

C22H29N3O5S — CID 24789525

IUPACethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CS(=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1
InChIInChI=1S/C22H29N3O5S/c1-4-29-22(27)25-11-9-18(10-12-25)23-20(26)14-31(28)13-19-16(3)30-21(24-19)17-7-5-15(2)6-8-17/h5-8,18H,4,9-14H2,1-3H3,(H,23,26)
InChIKeyRMWYHSJBEXXZRF-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.94
Rot. Bonds7

About ethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate (PubChem CID 24789525) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is ethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate
PubChem CID24789525
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Nameethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CS(=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1
InChIInChI=1S/C22H29N3O5S/c1-4-29-22(27)25-11-9-18(10-12-25)23-20(26)14-31(28)13-19-16(3)30-21(24-19)17-7-5-15(2)6-8-17/h5-8,18H,4,9-14H2,1-3H3,(H,23,26)
InChIKeyRMWYHSJBEXXZRF-UHFFFAOYSA-N
XLogP2.94
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[2-[(S)-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetyl]piperazine-1-carboxylate
CID 92662640
N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
CID 5307640
2-[(R)-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 92662632
N-[2-(diethylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
CID 3243327
ethyl 4-[[2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetyl]amino]piperidine-1-carboxylate
CID 24789561
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-1-pyrrolidin-1-ylethanone
CID 5308761
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
CID 5308210
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55950520
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
N-cyclopropyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 4174238
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[(S)-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
CID 99844149
2-[[2-[4-(bromomethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-fluoroacetamide
CID 121350678

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate (CID 24789525) is ethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CS(=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1.
What is the InChIKey of ethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is RMWYHSJBEXXZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-4-29-22(27)25-11-9-18(10-12-25)23-20(26)14-31(28)13-19-16(3)30-21(24-19)17-7-5-15(2)6-8-17/h5-8,18H,4,9-14H2,1-3H3,(H,23,26).
What are the key properties of ethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 447.56 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 24789525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).