tert-butyl N-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate

C16H26N4O4 — CID 70795363

IUPACtert-butyl N-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1nnc(NC(=O)C2CC2)o1)C(C)(C)C
InChIInChI=1S/C16H26N4O4/c1-15(2,3)10(17-14(22)24-16(4,5)6)12-19-20-13(23-12)18-11(21)9-7-8-9/h9-10H,7-8H2,1-6H3,(H,17,22)(H,18,20,21)/t10-/m1/s1
InChIKeyLFMVHDOFCFSDAJ-SNVBAGLBSA-N
MW338.41 g/mol
LogP3.03
Rot. Bonds4

About tert-butyl N-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate

tert-butyl N-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate (PubChem CID 70795363) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
PubChem CID70795363
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Nametert-butyl N-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1nnc(NC(=O)C2CC2)o1)C(C)(C)C
InChIInChI=1S/C16H26N4O4/c1-15(2,3)10(17-14(22)24-16(4,5)6)12-19-20-13(23-12)18-11(21)9-7-8-9/h9-10H,7-8H2,1-6H3,(H,17,22)(H,18,20,21)/t10-/m1/s1
InChIKeyLFMVHDOFCFSDAJ-SNVBAGLBSA-N
XLogP3.03
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate
CID 139227790
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}cyclopropane-carboxamide hydrochloride
CID 66949762
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
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-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate (CID 70795363) is tert-butyl N-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate is CC(C)(C)OC(=O)N[C@H](c1nnc(NC(=O)C2CC2)o1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate?
The InChIKey is LFMVHDOFCFSDAJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-15(2,3)10(17-14(22)24-16(4,5)6)12-19-20-13(23-12)18-11(21)9-7-8-9/h9-10H,7-8H2,1-6H3,(H,17,22)(H,18,20,21)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate?
tert-butyl N-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate has a molecular weight of 338.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate is sourced from PubChem (CID 70795363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).