N-[(3-methoxyoxolan-3-yl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine

C13H24N4O3 — CID 106964991

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOC1(CNc2nnc(CNCC(C)C)o2)CCOC1
InChIInChI=1S/C13H24N4O3/c1-10(2)6-14-7-11-16-17-12(20-11)15-8-13(18-3)4-5-19-9-13/h10,14H,4-9H2,1-3H3,(H,15,17)
InChIKeySKRVVDMHLYMHMP-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.03
Rot. Bonds8

About N-[(3-methoxyoxolan-3-yl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine

N-[(3-methoxyoxolan-3-yl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106964991) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106964991
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOC1(CNc2nnc(CNCC(C)C)o2)CCOC1
InChIInChI=1S/C13H24N4O3/c1-10(2)6-14-7-11-16-17-12(20-11)15-8-13(18-3)4-5-19-9-13/h10,14H,4-9H2,1-3H3,(H,15,17)
InChIKeySKRVVDMHLYMHMP-UHFFFAOYSA-N
XLogP1.03
TPSA81.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106964991) is N-[(3-methoxyoxolan-3-yl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is COC1(CNc2nnc(CNCC(C)C)o2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SKRVVDMHLYMHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-10(2)6-14-7-11-16-17-12(20-11)15-8-13(18-3)4-5-19-9-13/h10,14H,4-9H2,1-3H3,(H,15,17).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 284.36 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).