methyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate

C19H24N2O5 — CID 46081496

IUPACmethyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate
SMILESCCCCC(=O)N1CCC(n2c(=O)oc3ccc(C(=O)OC)cc32)CC1
InChIInChI=1S/C19H24N2O5/c1-3-4-5-17(22)20-10-8-14(9-11-20)21-15-12-13(18(23)25-2)6-7-16(15)26-19(21)24/h6-7,12,14H,3-5,8-11H2,1-2H3
InChIKeyISEPTZURGCJUJC-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.73
Rot. Bonds5

About methyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate

methyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate (PubChem CID 46081496) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is methyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate
PubChem CID46081496
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Namemethyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate
SMILESCCCCC(=O)N1CCC(n2c(=O)oc3ccc(C(=O)OC)cc32)CC1
InChIInChI=1S/C19H24N2O5/c1-3-4-5-17(22)20-10-8-14(9-11-20)21-15-12-13(18(23)25-2)6-7-16(15)26-19(21)24/h6-7,12,14H,3-5,8-11H2,1-2H3
InChIKeyISEPTZURGCJUJC-UHFFFAOYSA-N
XLogP2.73
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-benzoxazole-5-carboxylate
CID 71958328
3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid
CID 82479715
methyl 2-oxo-3-propan-2-yl-1,3-benzoxazole-5-carboxylate
CID 167310876
3-[1-(2,2-dichloroacetyl)piperidin-4-yl]-5-methyl-1,3-benzoxazol-2-one
CID 46081488
2-methylpropyl 4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate
CID 67326542
3-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-5-fluoro-1,3-benzoxazol-2-one
CID 46081499
3-methyl-6-(4-pentanoyl-1,4-diazepane-1-carbonyl)-1,3-benzoxazol-2-one
CID 110806757
methyl 3-(cyanomethyl)-2-oxo-1,3-benzoxazole-5-carboxylate
CID 46786351
methyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate
CID 59626440
3-[2-oxo-2-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]ethyl]benzoic acid
CID 175101505
methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110683349
2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide
CID 108551812

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate?
The IUPAC name of methyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate (CID 46081496) is methyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate.
What is the SMILES notation for methyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate?
The canonical SMILES for methyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate is CCCCC(=O)N1CCC(n2c(=O)oc3ccc(C(=O)OC)cc32)CC1.
What is the InChIKey of methyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate?
The InChIKey is ISEPTZURGCJUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-3-4-5-17(22)20-10-8-14(9-11-20)21-15-12-13(18(23)25-2)6-7-16(15)26-19(21)24/h6-7,12,14H,3-5,8-11H2,1-2H3.
What are the key properties of methyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate?
methyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate is sourced from PubChem (CID 46081496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).