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

C19H17N5O2 — CID 91841578

IUPACN-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
SMILESCN(Cc1cc(-c2ccncc2)no1)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H17N5O2/c1-24(12-16-11-17(23-26-16)14-7-9-20-10-8-14)13-18-21-22-19(25-18)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3
InChIKeyGQUUKOOHTGNUMA-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.42
Rot. Bonds6

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

N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine (PubChem CID 91841578) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
PubChem CID91841578
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
SMILESCN(Cc1cc(-c2ccncc2)no1)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H17N5O2/c1-24(12-16-11-17(23-26-16)14-7-9-20-10-8-14)13-18-21-22-19(25-18)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3
InChIKeyGQUUKOOHTGNUMA-UHFFFAOYSA-N
XLogP3.42
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 135116476
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine
CID 56898566
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
CID 56888188
N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686446
N-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 134712685
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 8802346
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72902762
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 46978542
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine
CID 171907211

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine (CID 91841578) is N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine is CN(Cc1cc(-c2ccncc2)no1)Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
The InChIKey is GQUUKOOHTGNUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-24(12-16-11-17(23-26-16)14-7-9-20-10-8-14)13-18-21-22-19(25-18)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3.
What are the key properties of N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine has a molecular weight of 347.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 91841578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).