tert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate

C17H28N4O4 — CID 163502095

IUPACtert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
SMILESCN(C(=O)C1CC1)c1nnc(C(NC(=O)OC(C)(C)C)C(C)(C)C)o1
InChIInChI=1S/C17H28N4O4/c1-16(2,3)11(18-15(23)25-17(4,5)6)12-19-20-14(24-12)21(7)13(22)10-8-9-10/h10-11H,8-9H2,1-7H3,(H,18,23)
InChIKeyCVPWXKPCFGCVHA-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.05
Rot. Bonds4

About tert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate

tert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate (PubChem CID 163502095) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is tert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
PubChem CID163502095
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Nametert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
SMILESCN(C(=O)C1CC1)c1nnc(C(NC(=O)OC(C)(C)C)C(C)(C)C)o1
InChIInChI=1S/C17H28N4O4/c1-16(2,3)11(18-15(23)25-17(4,5)6)12-19-20-14(24-12)21(7)13(22)10-8-9-10/h10-11H,8-9H2,1-7H3,(H,18,23)
InChIKeyCVPWXKPCFGCVHA-UHFFFAOYSA-N
XLogP3.05
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S)-2-methyl-1-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)propyl]carbamate
CID 24874411
tert-butyl [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate
CID 57463456
tert-Butyl [(1S)-1-{5-[(aminocarbonyl)amino]-1,3,4-oxadiazol-2-yl}-2,2-dimethylpropyl]carbamate
CID 58124724
tert-butyl N-[(2S)-1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 66948653
N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 66949763
tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 66951146
[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 66952021
tert-butyl-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 66952381
[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 68892927
tert-butyl [(1S)-1-{5-[(cyclopropylcarbonyl)amino]-1,3,4-oxadiazol-2-yl}-2,2-dimethylpropyl]carbamate
CID 70795363
N-[5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 70969126
tert-butyl N-[1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
CID 70969152

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate (CID 163502095) is tert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate is CN(C(=O)C1CC1)c1nnc(C(NC(=O)OC(C)(C)C)C(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate?
The InChIKey is CVPWXKPCFGCVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-16(2,3)11(18-15(23)25-17(4,5)6)12-19-20-14(24-12)21(7)13(22)10-8-9-10/h10-11H,8-9H2,1-7H3,(H,18,23).
What are the key properties of tert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate?
tert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate has a molecular weight of 352.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate is sourced from PubChem (CID 163502095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).