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

C15H22N4O — CID 106970880

IUPACN-methyl-N-(2-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1N(C)c1nnc(CNCC(C)C)o1
InChIInChI=1S/C15H22N4O/c1-11(2)9-16-10-14-17-18-15(20-14)19(4)13-8-6-5-7-12(13)3/h5-8,11,16H,9-10H2,1-4H3
InChIKeyYEFKZPVYKBSERM-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.89
Rot. Bonds6

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

N-methyl-N-(2-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106970880) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-methyl-N-(2-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106970880
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-methyl-N-(2-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1N(C)c1nnc(CNCC(C)C)o1
InChIInChI=1S/C15H22N4O/c1-11(2)9-16-10-14-17-18-15(20-14)19(4)13-8-6-5-7-12(13)3/h5-8,11,16H,9-10H2,1-4H3
InChIKeyYEFKZPVYKBSERM-UHFFFAOYSA-N
XLogP2.89
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971305
N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971234
N-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969218
5-(1-chloroethyl)-N-methyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106957112
N-ethyl-N-(2-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966903
N-(3,3-dimethylbutan-2-yl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969942
5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106967692
5-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970975
N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63058925
N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970989
N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106959907
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106963292

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-N-(2-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106970880) is N-methyl-N-(2-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-N-(2-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-N-(2-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is Cc1ccccc1N(C)c1nnc(CNCC(C)C)o1.
What is the InChIKey of N-methyl-N-(2-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is YEFKZPVYKBSERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)9-16-10-14-17-18-15(20-14)19(4)13-8-6-5-7-12(13)3/h5-8,11,16H,9-10H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-methyl-N-(2-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 274.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).