5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride

C14H21ClN4O — CID 154917404

IUPAC5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride
SMILESCNCc1nnc(NC(C)CCc2ccccc2)o1.Cl
InChIInChI=1S/C14H20N4O.ClH/c1-11(8-9-12-6-4-3-5-7-12)16-14-18-17-13(19-14)10-15-2;/h3-7,11,15H,8-10H2,1-2H3,(H,16,18);1H
InChIKeyBBBZDVDJKQHVIQ-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.64
Rot. Bonds7

About 5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride

5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride (PubChem CID 154917404) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride
PubChem CID154917404
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride
SMILESCNCc1nnc(NC(C)CCc2ccccc2)o1.Cl
InChIInChI=1S/C14H20N4O.ClH/c1-11(8-9-12-6-4-3-5-7-12)16-14-18-17-13(19-14)10-15-2;/h3-7,11,15H,8-10H2,1-2H3,(H,16,18);1H
InChIKeyBBBZDVDJKQHVIQ-UHFFFAOYSA-N
XLogP2.64
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106959609
N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960985
5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106960989
5-(ethylaminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-1,3,4-oxadiazol-2-amine
CID 106959619
5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 137343503
N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959871
5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106967245
5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine
CID 137335657
5-(ethylaminomethyl)-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969533
2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine
CID 80811958
5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967633
N-(4-phenylbutan-2-yl)thiadiazol-5-amine
CID 107649389

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride?
The IUPAC name of 5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride (CID 154917404) is 5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride?
The canonical SMILES for 5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride is CNCc1nnc(NC(C)CCc2ccccc2)o1.Cl.
What is the InChIKey of 5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride?
The InChIKey is BBBZDVDJKQHVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O.ClH/c1-11(8-9-12-6-4-3-5-7-12)16-14-18-17-13(19-14)10-15-2;/h3-7,11,15H,8-10H2,1-2H3,(H,16,18);1H.
What are the key properties of 5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride?
5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride is sourced from PubChem (CID 154917404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).