N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine

C14H19N3O — CID 103721585

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
SMILESCc1nc(CNCc2ccc(C(C)C)cc2)no1
InChIInChI=1S/C14H19N3O/c1-10(2)13-6-4-12(5-7-13)8-15-9-14-16-11(3)18-17-14/h4-7,10,15H,8-9H2,1-3H3
InChIKeyDNMDIAHIUHRAGJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.79
Rot. Bonds5

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 103721585) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
PubChem CID103721585
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
SMILESCc1nc(CNCc2ccc(C(C)C)cc2)no1
InChIInChI=1S/C14H19N3O/c1-10(2)13-6-4-12(5-7-13)8-15-9-14-16-11(3)18-17-14/h4-7,10,15H,8-9H2,1-3H3
InChIKeyDNMDIAHIUHRAGJ-UHFFFAOYSA-N
XLogP2.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]phenyl]propanoic acid
CID 106401631
1-(4-ethylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 103721561
1-(3-chloro-4-methylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 114078694
1-(3,4-dibromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 114078698
1-(3,5-dichlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 114078716
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylpropan-1-amine
CID 113224953
(1S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 107911783
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
[4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol
CID 114186023
1-(3,4-dichlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 113350417
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
CID 113248219
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine (CID 103721585) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine is Cc1nc(CNCc2ccc(C(C)C)cc2)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is DNMDIAHIUHRAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)13-6-4-12(5-7-13)8-15-9-14-16-11(3)18-17-14/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 103721585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).