N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

C14H20N4O — CID 106966869

IUPACN-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(N(C)Cc2ccccc2)o1
InChIInChI=1S/C14H20N4O/c1-11(2)15-9-13-16-17-14(19-13)18(3)10-12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3
InChIKeyBUWQJKFCQDOAON-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.20
Rot. Bonds6

About N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106966869) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106966869
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(N(C)Cc2ccccc2)o1
InChIInChI=1S/C14H20N4O/c1-11(2)15-9-13-16-17-14(19-13)18(3)10-12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3
InChIKeyBUWQJKFCQDOAON-UHFFFAOYSA-N
XLogP2.20
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959809
N-(cyclohexylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959848
N-methyl-5-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
CID 106962442
N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970569
N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43280656
N-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106963006
5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960172
N-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 137341409
N-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969218
N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106959812
N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106970850
5-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959317

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106966869) is N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is CC(C)NCc1nnc(N(C)Cc2ccccc2)o1.
What is the InChIKey of N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is BUWQJKFCQDOAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(2)15-9-13-16-17-14(19-13)18(3)10-12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).