N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine

C17H18N4O — CID 171907211

IUPACN-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine
SMILESCN(CCc1cccnc1)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H18N4O/c1-21(11-9-14-6-5-10-18-12-14)13-16-19-20-17(22-16)15-7-3-2-4-8-15/h2-8,10,12H,9,11,13H2,1H3
InChIKeyCYELICTZUWEWFL-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.81
Rot. Bonds6

About N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine

N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine (PubChem CID 171907211) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine
PubChem CID171907211
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine
SMILESCN(CCc1cccnc1)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H18N4O/c1-21(11-9-14-6-5-10-18-12-14)13-16-19-20-17(22-16)15-7-3-2-4-8-15/h2-8,10,12H,9,11,13H2,1H3
InChIKeyCYELICTZUWEWFL-UHFFFAOYSA-N
XLogP2.81
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 110652774
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 110653671
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 50848268
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 91835896
N-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]butan-1-amine
CID 110653712
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide
CID 167889655
N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 2982833
N-methyl-2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine
CID 171914771

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine?
The IUPAC name of N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine (CID 171907211) is N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine?
The canonical SMILES for N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine is CN(CCc1cccnc1)Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine?
The InChIKey is CYELICTZUWEWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-21(11-9-14-6-5-10-18-12-14)13-16-19-20-17(22-16)15-7-3-2-4-8-15/h2-8,10,12H,9,11,13H2,1H3.
What are the key properties of N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine?
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine has a molecular weight of 294.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 171907211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).