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

C16H24N4O — CID 106971305

IUPACN-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(C)cc(N(C)c2nnc(CNCC(C)C)o2)c1
InChIInChI=1S/C16H24N4O/c1-11(2)9-17-10-15-18-19-16(21-15)20(5)14-7-12(3)6-13(4)8-14/h6-8,11,17H,9-10H2,1-5H3
InChIKeyDZNSDDDLOOEITD-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.20
Rot. Bonds6

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

N-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106971305) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106971305
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(C)cc(N(C)c2nnc(CNCC(C)C)o2)c1
InChIInChI=1S/C16H24N4O/c1-11(2)9-17-10-15-18-19-16(21-15)20(5)14-7-12(3)6-13(4)8-14/h6-8,11,17H,9-10H2,1-5H3
InChIKeyDZNSDDDLOOEITD-UHFFFAOYSA-N
XLogP3.20
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971234
N-methyl-N-(2-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970880
N-(3,3-dimethylbutan-2-yl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969942
5-[(2-methylpropylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966187
5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106967692
N-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969218
N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970989
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106963292
N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106961397
1-[[methyl-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]cyclopentan-1-ol
CID 106965606
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961914
N,N-dimethyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide
CID 106960123

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106971305) is N-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is Cc1cc(C)cc(N(C)c2nnc(CNCC(C)C)o2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is DZNSDDDLOOEITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)9-17-10-15-18-19-16(21-15)20(5)14-7-12(3)6-13(4)8-14/h6-8,11,17H,9-10H2,1-5H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 288.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106971305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).