tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate

C19H29N3O4 — CID 42948503

IUPACtert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
SMILESCc1cc(C2CCCN2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)no1
InChIInChI=1S/C19H29N3O4/c1-13-12-15(20-26-13)16-6-5-9-22(16)17(23)14-7-10-21(11-8-14)18(24)25-19(2,3)4/h12,14,16H,5-11H2,1-4H3
InChIKeyLRYODUWRIYKOSJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.29
Rot. Bonds2

About tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate

tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 42948503) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
PubChem CID42948503
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nametert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
SMILESCc1cc(C2CCCN2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)no1
InChIInChI=1S/C19H29N3O4/c1-13-12-15(20-26-13)16-6-5-9-22(16)17(23)14-7-10-21(11-8-14)18(24)25-19(2,3)4/h12,14,16H,5-11H2,1-4H3
InChIKeyLRYODUWRIYKOSJ-UHFFFAOYSA-N
XLogP3.29
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-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

cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 97277737
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone
CID 95587198
tert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 166520473
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 94040955
tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 51325156
2-ethoxy-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
CID 91760961
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94093448
tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 110624102
[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 95286989

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate (CID 42948503) is tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate is Cc1cc(C2CCCN2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)no1.
What is the InChIKey of tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate?
The InChIKey is LRYODUWRIYKOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-13-12-15(20-26-13)16-6-5-9-22(16)17(23)14-7-10-21(11-8-14)18(24)25-19(2,3)4/h12,14,16H,5-11H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 42948503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).