methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate

C22H28N2O4 — CID 108809123

IUPACmethyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)CCc2ncc(-c3ccc(C(C)C)cc3)o2)C1
InChIInChI=1S/C22H28N2O4/c1-15(2)16-6-8-17(9-7-16)19-13-23-20(28-19)10-11-21(25)24-12-4-5-18(14-24)22(26)27-3/h6-9,13,15,18H,4-5,10-12,14H2,1-3H3
InChIKeyDPZJHOGRJKTFLT-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.81
Rot. Bonds6

About methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate

methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate (PubChem CID 108809123) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate
PubChem CID108809123
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Namemethyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)CCc2ncc(-c3ccc(C(C)C)cc3)o2)C1
InChIInChI=1S/C22H28N2O4/c1-15(2)16-6-8-17(9-7-16)19-13-23-20(28-19)10-11-21(25)24-12-4-5-18(14-24)22(26)27-3/h6-9,13,15,18H,4-5,10-12,14H2,1-3H3
InChIKeyDPZJHOGRJKTFLT-UHFFFAOYSA-N
XLogP3.81
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid
CID 119136265
(3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 95327518
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119396415
N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide
CID 119480187
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46434985
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 24627726
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119539972
methyl 1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate
CID 78919193
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488208
1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888753
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108809162

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate (CID 108809123) is methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)CCc2ncc(-c3ccc(C(C)C)cc3)o2)C1.
What is the InChIKey of methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate?
The InChIKey is DPZJHOGRJKTFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(2)16-6-8-17(9-7-16)19-13-23-20(28-19)10-11-21(25)24-12-4-5-18(14-24)22(26)27-3/h6-9,13,15,18H,4-5,10-12,14H2,1-3H3.
What are the key properties of methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate?
methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 108809123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).