tert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate

C16H28N4O3 — CID 97019049

IUPACtert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate
SMILESCC(C)c1nnc(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C16H28N4O3/c1-11(2)14-18-17-13(22-14)10-20-8-7-12(9-20)19(6)15(21)23-16(3,4)5/h11-12H,7-10H2,1-6H3/t12-/m1/s1
InChIKeyCGEQFJYYNDLZRX-GFCCVEGCSA-N
MW324.43 g/mol
LogP2.63
Rot. Bonds4

About tert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate

tert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate (PubChem CID 97019049) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate
PubChem CID97019049
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Nametert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate
SMILESCC(C)c1nnc(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C16H28N4O3/c1-11(2)14-18-17-13(22-14)10-20-8-7-12(9-20)19(6)15(21)23-16(3,4)5/h11-12H,7-10H2,1-6H3/t12-/m1/s1
InChIKeyCGEQFJYYNDLZRX-GFCCVEGCSA-N
XLogP2.63
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-methyl-N-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]carbamate
CID 71861813
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385
tert-butyl N-[1-(5,5-dimethoxypentyl)piperidin-4-yl]-N-methylcarbamate
CID 131721052
2-[(3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]acetic acid
CID 66566410
N,N-dimethyl-1-[(2S)-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine
CID 95332231
tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 119028664
tert-butyl N-[(3S)-1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 58080852
tert-butyl N-[1-(5-aminopentyl)piperidin-4-yl]-N-methylcarbamate
CID 165368889
tert-butyl N-[(3R)-1-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-yl]-N-methylcarbamate
CID 97167031
tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate
CID 86792769
tert-butyl N-methyl-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]carbamate
CID 71977139
tert-butyl N-[(3R)-1-(2-chloroacetyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 66566130

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate (CID 97019049) is tert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate is CC(C)c1nnc(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)o1.
What is the InChIKey of tert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate?
The InChIKey is CGEQFJYYNDLZRX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-11(2)14-18-17-13(22-14)10-20-8-7-12(9-20)19(6)15(21)23-16(3,4)5/h11-12H,7-10H2,1-6H3/t12-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate?
tert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate has a molecular weight of 324.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 97019049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).