5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine

C15H22N4O — CID 137343503

IUPAC5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NC(C)c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C15H22N4O/c1-10(2)12-5-7-13(8-6-12)11(3)17-15-19-18-14(20-15)9-16-4/h5-8,10-11,16H,9H2,1-4H3,(H,17,19)
InChIKeyIAUBNSCMRUHHHE-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.09
Rot. Bonds6

About 5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine

5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 137343503) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID137343503
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NC(C)c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C15H22N4O/c1-10(2)12-5-7-13(8-6-12)11(3)17-15-19-18-14(20-15)9-16-4/h5-8,10-11,16H,9H2,1-4H3,(H,17,19)
InChIKeyIAUBNSCMRUHHHE-UHFFFAOYSA-N
XLogP3.09
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971273
N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62138841
5-(ethylaminomethyl)-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970455
N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970950
5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 137342888
5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106971203
5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride
CID 154917404
5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959334
5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967633
N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106959609
N-[1-(3-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971199
5-[(cyclopropylamino)methyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966723

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine (CID 137343503) is 5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine is CNCc1nnc(NC(C)c2ccc(C(C)C)cc2)o1.
What is the InChIKey of 5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is IAUBNSCMRUHHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(2)12-5-7-13(8-6-12)11(3)17-15-19-18-14(20-15)9-16-4/h5-8,10-11,16H,9H2,1-4H3,(H,17,19).
What are the key properties of 5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine?
5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 274.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137343503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).