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

C13H23N5O4 — CID 58124724

IUPACtert-butyl N-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1nnc(NC(N)=O)o1)C(C)(C)C
InChIInChI=1S/C13H23N5O4/c1-12(2,3)7(15-11(20)22-13(4,5)6)8-17-18-10(21-8)16-9(14)19/h7H,1-6H3,(H,15,20)(H3,14,16,18,19)/t7-/m1/s1
InChIKeyOQZUDCBZEAYYPQ-SSDOTTSWSA-N
MW313.36 g/mol
LogP2.17
Rot. Bonds3

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

tert-butyl N-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate (PubChem CID 58124724) has the molecular formula C13H23N5O4 and a molecular weight of 313.36 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
PubChem CID58124724
Molecular FormulaC13H23N5O4
Molecular Weight313.36 g/mol
Exact Mass313.18
IUPAC Nametert-butyl N-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1nnc(NC(N)=O)o1)C(C)(C)C
InChIInChI=1S/C13H23N5O4/c1-12(2,3)7(15-11(20)22-13(4,5)6)8-17-18-10(21-8)16-9(14)19/h7H,1-6H3,(H,15,20)(H3,14,16,18,19)/t7-/m1/s1
InChIKeyOQZUDCBZEAYYPQ-SSDOTTSWSA-N
XLogP2.17
TPSA132.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1S)-1-[5-(carbamoylamino)-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 N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate
CID 139227792
tert-butyl [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate
CID 57463456
[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea
CID 58124290
tert-butyl N-[(2S)-1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 66948653
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
1-{5-[(1S)-1-Amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl}urea hydrochloride
CID 66952065
tert-butyl-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 66952381
[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid
CID 67532202
[(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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate (CID 58124724) is tert-butyl N-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate is CC(C)(C)OC(=O)N[C@H](c1nnc(NC(N)=O)o1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate?
The InChIKey is OQZUDCBZEAYYPQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H23N5O4/c1-12(2,3)7(15-11(20)22-13(4,5)6)8-17-18-10(21-8)16-9(14)19/h7H,1-6H3,(H,15,20)(H3,14,16,18,19)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate?
tert-butyl N-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate has a molecular weight of 313.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate is sourced from PubChem (CID 58124724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).