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

C19H24N2O3 — CID 129126731

IUPACbenzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)c1cnc([C@@H]2CCCN2C(=O)OCc2ccccc2)o1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)16-12-20-17(24-16)15-10-7-11-21(15)18(22)23-13-14-8-5-4-6-9-14/h4-6,8-9,12,15H,7,10-11,13H2,1-3H3/t15-/m0/s1
InChIKeyBTQLQQNUJXMPIX-HNNXBMFYSA-N
MW328.41 g/mol
LogP4.45
Rot. Bonds3

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

benzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate (PubChem CID 129126731) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is benzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
PubChem CID129126731
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Namebenzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)c1cnc([C@@H]2CCCN2C(=O)OCc2ccccc2)o1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)16-12-20-17(24-16)15-10-7-11-21(15)18(22)23-13-14-8-5-4-6-9-14/h4-6,8-9,12,15H,7,10-11,13H2,1-3H3/t15-/m0/s1
InChIKeyBTQLQQNUJXMPIX-HNNXBMFYSA-N
XLogP4.45
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 59548510
5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid
CID 85274193
benzyl (2S,4S)-2-(5-tert-butyl-1,3-oxazol-2-yl)-4-diazenylpyrrolidine-1-carboxylate
CID 163465659
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
benzyl (2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
CID 66855550
benzyl 2-(6-tert-butylsulfanyl-3-pyridinyl)piperidine-1-carboxylate
CID 102542217
benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 175376417
benzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate
CID 102539733
benzyl (2S)-2-(6-pentyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylate
CID 68573073
benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102543168
1-O-benzyl 2-O-tert-butyl piperidine-1,2-dicarboxylate
CID 3340153

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate (CID 129126731) is benzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate is CC(C)(C)c1cnc([C@@H]2CCCN2C(=O)OCc2ccccc2)o1.
What is the InChIKey of benzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is BTQLQQNUJXMPIX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,3)16-12-20-17(24-16)15-10-7-11-21(15)18(22)23-13-14-8-5-4-6-9-14/h4-6,8-9,12,15H,7,10-11,13H2,1-3H3/t15-/m0/s1.
What are the key properties of benzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
benzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 4.45, 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-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 129126731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).