5-methyl-N-[5-[(2-methylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzoxazol-2-amine

C16H19N5O2 — CID 153266859

IUPAC5-methyl-N-[5-[(2-methylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzoxazol-2-amine
SMILESCc1ccc2oc(Nc3nnc(CN4CCCC4C)o3)nc2c1
InChIInChI=1S/C16H19N5O2/c1-10-5-6-13-12(8-10)17-15(22-13)18-16-20-19-14(23-16)9-21-7-3-4-11(21)2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,18,20)
InChIKeyWWIJUFGSDRZCJI-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.25
Rot. Bonds4

About 5-methyl-N-[5-[(2-methylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzoxazol-2-amine

5-methyl-N-[5-[(2-methylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzoxazol-2-amine (PubChem CID 153266859) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-methyl-N-[5-[(2-methylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[5-[(2-methylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzoxazol-2-amine
PubChem CID153266859
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name5-methyl-N-[5-[(2-methylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzoxazol-2-amine
SMILESCc1ccc2oc(Nc3nnc(CN4CCCC4C)o3)nc2c1
InChIInChI=1S/C16H19N5O2/c1-10-5-6-13-12(8-10)17-15(22-13)18-16-20-19-14(23-16)9-21-7-3-4-11(21)2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,18,20)
InChIKeyWWIJUFGSDRZCJI-UHFFFAOYSA-N
XLogP3.25
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[5-[(2-methylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

ethyl 5-[(5-methyl-1,3-benzoxazol-2-yl)amino]-1,3,4-oxadiazole-2-carboxylate
CID 158973706
5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine
CID 166211073
N-ethyl-5-methyl-1,3-benzoxazol-2-amine
CID 15684675
N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine
CID 24759786
5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride
CID 160674405
(4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone
CID 22274484
1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine
CID 60918378
2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 94015010
2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine
CID 130718603
[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 130693812
ethyl (2S)-3-cyclohexyl-2-[(5-methyl-1,3-benzoxazol-2-yl)amino]propanoate
CID 10449322
2-(3-iodophenyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,3-benzoxazole
CID 99968142

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-[(2-methylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-methyl-N-[5-[(2-methylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzoxazol-2-amine (CID 153266859) is 5-methyl-N-[5-[(2-methylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-methyl-N-[5-[(2-methylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-methyl-N-[5-[(2-methylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzoxazol-2-amine is Cc1ccc2oc(Nc3nnc(CN4CCCC4C)o3)nc2c1.
What is the InChIKey of 5-methyl-N-[5-[(2-methylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzoxazol-2-amine?
The InChIKey is WWIJUFGSDRZCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10-5-6-13-12(8-10)17-15(22-13)18-16-20-19-14(23-16)9-21-7-3-4-11(21)2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,18,20).
What are the key properties of 5-methyl-N-[5-[(2-methylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzoxazol-2-amine?
5-methyl-N-[5-[(2-methylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzoxazol-2-amine has a molecular weight of 313.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-[(2-methylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 153266859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).