methyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate

C25H30N4O4S — CID 4658166

IUPACmethyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate
SMILESCOC(=O)C(NC(=O)N1CCC(c2nc(-c3c(-c4ccccc4)noc3C)cs2)CC1)C(C)C
InChIInChI=1S/C25H30N4O4S/c1-15(2)21(24(30)32-4)27-25(31)29-12-10-18(11-13-29)23-26-19(14-34-23)20-16(3)33-28-22(20)17-8-6-5-7-9-17/h5-9,14-15,18,21H,10-13H2,1-4H3,(H,27,31)
InChIKeySYLWMRFGONXKAA-UHFFFAOYSA-N
MW482.61 g/mol
LogP4.86
Rot. Bonds6

About methyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate

methyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate (PubChem CID 4658166) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is methyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate
PubChem CID4658166
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Namemethyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate
SMILESCOC(=O)C(NC(=O)N1CCC(c2nc(-c3c(-c4ccccc4)noc3C)cs2)CC1)C(C)C
InChIInChI=1S/C25H30N4O4S/c1-15(2)21(24(30)32-4)27-25(31)29-12-10-18(11-13-29)23-26-19(14-34-23)20-16(3)33-28-22(20)17-8-6-5-7-9-17/h5-9,14-15,18,21H,10-13H2,1-4H3,(H,27,31)
InChIKeySYLWMRFGONXKAA-UHFFFAOYSA-N
XLogP4.86
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate with MolForge

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Related Compounds

[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 3838705
methyl 2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]-3-methylbutanoate
CID 3705753
1H-imidazol-5-yl-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 23791495
2-amino-5-[2-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-4-one
CID 74225154
[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-(5-nitro-1H-pyrazol-3-yl)methanone
CID 135530381
[2-methoxy-4-[3-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-1-enyl]phenyl] acetate
CID 3727595
1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 23857613
4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine
CID 4984355
1-[4-[4-[5-methyl-3-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-1,2-oxazol-4-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 11238708
1-[4-[4-[5-methyl-3-[3-(4-methylsulfonylphenyl)phenyl]-1,2-oxazol-4-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 11307962
1-[4-[4-[3-[3-(4-isocyanophenyl)phenyl]-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 59646762
[2-[3-[3-[5-methyl-4-[2-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazol-3-yl]phenyl]anilino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 69315447

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate (CID 4658166) is methyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate is COC(=O)C(NC(=O)N1CCC(c2nc(-c3c(-c4ccccc4)noc3C)cs2)CC1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate?
The InChIKey is SYLWMRFGONXKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-15(2)21(24(30)32-4)27-25(31)29-12-10-18(11-13-29)23-26-19(14-34-23)20-16(3)33-28-22(20)17-8-6-5-7-9-17/h5-9,14-15,18,21H,10-13H2,1-4H3,(H,27,31).
What are the key properties of methyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate?
methyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate has a molecular weight of 482.61 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]amino]butanoate is sourced from PubChem (CID 4658166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).