N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide

C11H18N4O2 — CID 66949763

IUPACN-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
SMILESCC(C)(C)[C@H](N)c1nnc(NC(=O)C2CC2)o1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)7(12)9-14-15-10(17-9)13-8(16)6-4-5-6/h6-7H,4-5,12H2,1-3H3,(H,13,15,16)/t7-/m1/s1
InChIKeyLZHCPQZTKLSSCB-SSDOTTSWSA-N
MW238.29 g/mol
LogP1.46
Rot. Bonds3

About N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide

N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 66949763) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
PubChem CID66949763
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
SMILESCC(C)(C)[C@H](N)c1nnc(NC(=O)C2CC2)o1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)7(12)9-14-15-10(17-9)13-8(16)6-4-5-6/h6-7H,4-5,12H2,1-3H3,(H,13,15,16)/t7-/m1/s1
InChIKeyLZHCPQZTKLSSCB-SSDOTTSWSA-N
XLogP1.46
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea
CID 58124290
N-{5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl}cyclopropane-carboxamide hydrochloride
CID 66949762
1-{5-[(1S)-1-Amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl}urea hydrochloride
CID 66952065
[(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
[5-(1-Amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea
CID 70969177
tert-butyl N-[1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
CID 70969652
tert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
CID 163502095
5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen
CID 169163796
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(ethylamino)-2-methylpropanamide
CID 55121391
2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
CID 61251938

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide (CID 66949763) is N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide is CC(C)(C)[C@H](N)c1nnc(NC(=O)C2CC2)o1.
What is the InChIKey of N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is LZHCPQZTKLSSCB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2,3)7(12)9-14-15-10(17-9)13-8(16)6-4-5-6/h6-7H,4-5,12H2,1-3H3,(H,13,15,16)/t7-/m1/s1.
What are the key properties of N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 66949763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).