N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

C11H15N5O — CID 114183327

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESc1noc(CCNCc2cncn2C2CC2)n1
InChIInChI=1S/C11H15N5O/c1-2-9(1)16-8-13-6-10(16)5-12-4-3-11-14-7-15-17-11/h6-9,12H,1-5H2
InChIKeyNIEPWMCRZBOKDF-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.93
Rot. Bonds6

About N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 114183327) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID114183327
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESc1noc(CCNCc2cncn2C2CC2)n1
InChIInChI=1S/C11H15N5O/c1-2-9(1)16-8-13-6-10(16)5-12-4-3-11-14-7-15-17-11/h6-9,12H,1-5H2
InChIKeyNIEPWMCRZBOKDF-UHFFFAOYSA-N
XLogP0.93
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)ethyl]-1-methyl-1H-imidazole-4-carboxamide
CID 91923835
N-[(1-ethyl-1H-imidazol-5-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 91837460
(3S)-N-methyl-3-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]butanamide
CID 99944463
N-ethyl-N'-[(1-ethyl-1H-imidazol-5-yl)methyl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 122561878
1-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazole-4-carboxamide
CID 132302375
(4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one
CID 164635297
1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide
CID 134372971
N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide
CID 155582672
N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]propanamide
CID 170038779
3-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 56719986
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]propanamide
CID 60315762
3-[(3-Methylimidazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62999200

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 114183327) is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is c1noc(CCNCc2cncn2C2CC2)n1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is NIEPWMCRZBOKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-9(1)16-8-13-6-10(16)5-12-4-3-11-14-7-15-17-11/h6-9,12H,1-5H2.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 233.27 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 114183327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).