benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate

C16H18N2O3 — CID 59548510

IUPACbenzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
SMILESCc1cnc([C@@H]2CCCN2C(=O)OCc2ccccc2)o1
InChIInChI=1S/C16H18N2O3/c1-12-10-17-15(21-12)14-8-5-9-18(14)16(19)20-11-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3/t14-/m0/s1
InChIKeyDDJQYVDTBMMVMA-AWEZNQCLSA-N
MW286.33 g/mol
LogP3.46
Rot. Bonds3

About benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate

benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate (PubChem CID 59548510) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
PubChem CID59548510
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namebenzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
SMILESCc1cnc([C@@H]2CCCN2C(=O)OCc2ccccc2)o1
InChIInChI=1S/C16H18N2O3/c1-12-10-17-15(21-12)14-8-5-9-18(14)16(19)20-11-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3/t14-/m0/s1
InChIKeyDDJQYVDTBMMVMA-AWEZNQCLSA-N
XLogP3.46
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-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

benzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 129126731
5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid
CID 85274193
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 57196602
1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone
CID 118359439
benzyl (2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
CID 66855550
benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102543168
benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 175376417
benzyl 2-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102542994
benzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate
CID 102539733
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 124955389
benzyl (2S)-2-(6-pentyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylate
CID 68573073

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate (CID 59548510) is benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate is Cc1cnc([C@@H]2CCCN2C(=O)OCc2ccccc2)o1.
What is the InChIKey of benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is DDJQYVDTBMMVMA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-10-17-15(21-12)14-8-5-9-18(14)16(19)20-11-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3/t14-/m0/s1.
What are the key properties of benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 59548510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).