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

C13H26N4O2 — CID 106962202

IUPACN-(1-methoxy-3-methylbutan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOCC(Nc1nnc(CNCC(C)C)o1)C(C)C
InChIInChI=1S/C13H26N4O2/c1-9(2)6-14-7-12-16-17-13(19-12)15-11(8-18-5)10(3)4/h9-11,14H,6-8H2,1-5H3,(H,15,17)
InChIKeyOYZNEMOBUHNFFC-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.90
Rot. Bonds9

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

N-(1-methoxy-3-methylbutan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106962202) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106962202
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOCC(Nc1nnc(CNCC(C)C)o1)C(C)C
InChIInChI=1S/C13H26N4O2/c1-9(2)6-14-7-12-16-17-13(19-12)15-11(8-18-5)10(3)4/h9-11,14H,6-8H2,1-5H3,(H,15,17)
InChIKeyOYZNEMOBUHNFFC-UHFFFAOYSA-N
XLogP1.90
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966384
N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959871
2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
CID 106959991
5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969059
2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106967726
N-(3-ethylpentan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961187
5-[(2-methylpropylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964746
N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970989
5-[(2-methylpropylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966187
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106971186
N-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961383
N-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106963687

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106962202) is N-(1-methoxy-3-methylbutan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is COCC(Nc1nnc(CNCC(C)C)o1)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OYZNEMOBUHNFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-9(2)6-14-7-12-16-17-13(19-12)15-11(8-18-5)10(3)4/h9-11,14H,6-8H2,1-5H3,(H,15,17).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(1-methoxy-3-methylbutan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 270.38 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).