N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine

C16H17N5O — CID 91835446

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine
SMILESCN(Cc1cnc2ccccc2n1)Cc1nc(C2CC2)no1
InChIInChI=1S/C16H17N5O/c1-21(10-15-19-16(20-22-15)11-6-7-11)9-12-8-17-13-4-2-3-5-14(13)18-12/h2-5,8,11H,6-7,9-10H2,1H3
InChIKeyVZJFVLQMKGOLMX-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.52
Rot. Bonds5

About N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine (PubChem CID 91835446) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine
PubChem CID91835446
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine
SMILESCN(Cc1cnc2ccccc2n1)Cc1nc(C2CC2)no1
InChIInChI=1S/C16H17N5O/c1-21(10-15-19-16(20-22-15)11-6-7-11)9-12-8-17-13-4-2-3-5-14(13)18-12/h2-5,8,11H,6-7,9-10H2,1H3
InChIKeyVZJFVLQMKGOLMX-UHFFFAOYSA-N
XLogP2.52
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-phenylmethanamine
CID 25453292
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine
CID 135112631
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 51076501
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86855997
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 56811259
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 51076927
1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine
CID 31193804
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine
CID 36649204
N-methyl-1-[5-(oxan-2-yl)furan-2-yl]-N-(quinoxalin-2-ylmethyl)methanamine
CID 74240539
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 91837128
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 94032187
N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine
CID 56707377

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine (CID 91835446) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine is CN(Cc1cnc2ccccc2n1)Cc1nc(C2CC2)no1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine?
The InChIKey is VZJFVLQMKGOLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-21(10-15-19-16(20-22-15)11-6-7-11)9-12-8-17-13-4-2-3-5-14(13)18-12/h2-5,8,11H,6-7,9-10H2,1H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine has a molecular weight of 295.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine is sourced from PubChem (CID 91835446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).