trans-(1S,3S)-3-N-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentane-1,3-diamine

C11H18N4O — CID 177336250

IUPACtrans-(1S,3S)-3-N-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentane-1,3-diamine
SMILESCC1(c2nc(N[C@H]3CC[C@H](N)C3)no2)CC1
InChIInChI=1S/C11H18N4O/c1-11(4-5-11)9-14-10(15-16-9)13-8-3-2-7(12)6-8/h7-8H,2-6,12H2,1H3,(H,13,15)/t7-,8-/m0/s1
InChIKeyWCWXYNRBAAUHEC-YUMQZZPRSA-N
MW222.29 g/mol
LogP1.41
Rot. Bonds3

About trans-(1S,3S)-3-N-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentane-1,3-diamine

trans-(1S,3S)-3-N-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentane-1,3-diamine (PubChem CID 177336250) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentane-1,3-diamine
PubChem CID177336250
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Nametrans-(1S,3S)-3-N-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentane-1,3-diamine
SMILESCC1(c2nc(N[C@H]3CC[C@H](N)C3)no2)CC1
InChIInChI=1S/C11H18N4O/c1-11(4-5-11)9-14-10(15-16-9)13-8-3-2-7(12)6-8/h7-8H,2-6,12H2,1H3,(H,13,15)/t7-,8-/m0/s1
InChIKeyWCWXYNRBAAUHEC-YUMQZZPRSA-N
XLogP1.41
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine
CID 171756439
5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115025293
5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine
CID 84649929
trans-(1S,3S)-3-N-[5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409749
3-N-(4-methylphenyl)cyclopentane-1,3-diamine
CID 79461968
4-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1,4-diamine
CID 62319423
3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 80601729
4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 106828747
3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine
CID 79461633
2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106828748
3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole
CID 102661074
3-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentane-1,3-diamine
CID 79462313

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-N-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentane-1,3-diamine (CID 177336250) is trans-(1S,3S)-3-N-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-3-N-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentane-1,3-diamine is CC1(c2nc(N[C@H]3CC[C@H](N)C3)no2)CC1.
What is the InChIKey of trans-(1S,3S)-3-N-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentane-1,3-diamine?
The InChIKey is WCWXYNRBAAUHEC-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(4-5-11)9-14-10(15-16-9)13-8-3-2-7(12)6-8/h7-8H,2-6,12H2,1H3,(H,13,15)/t7-,8-/m0/s1.
What are the key properties of trans-(1S,3S)-3-N-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentane-1,3-diamine has a molecular weight of 222.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-N-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 177336250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).