cyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine

C16H17N5O2 — CID 167937797

IUPACcyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ccccc1-n1cnc(-c2nc(C(N)C3CC3)no2)c1
InChIInChI=1S/C16H17N5O2/c1-22-13-5-3-2-4-12(13)21-8-11(18-9-21)16-19-15(20-23-16)14(17)10-6-7-10/h2-5,8-10,14H,6-7,17H2,1H3
InChIKeyDDQCANKXCAOSEF-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.34
Rot. Bonds5

About cyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine

cyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 167937797) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is cyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID167937797
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Namecyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ccccc1-n1cnc(-c2nc(C(N)C3CC3)no2)c1
InChIInChI=1S/C16H17N5O2/c1-22-13-5-3-2-4-12(13)21-8-11(18-9-21)16-19-15(20-23-16)14(17)10-6-7-10/h2-5,8-10,14H,6-7,17H2,1H3
InChIKeyDDQCANKXCAOSEF-UHFFFAOYSA-N
XLogP2.34
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 103121818
cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 62874824
cyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 61325866
[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325661
4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxyaniline
CID 107209288
[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325038
[1-(2-methoxyphenyl)imidazol-4-yl]methanamine
CID 82469793
cyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324851
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
2-[1-(2-methoxyphenyl)imidazol-4-yl]ethanamine
CID 82471834
[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325046
cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61325253

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 167937797) is cyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine is COc1ccccc1-n1cnc(-c2nc(C(N)C3CC3)no2)c1.
What is the InChIKey of cyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is DDQCANKXCAOSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-22-13-5-3-2-4-12(13)21-8-11(18-9-21)16-19-15(20-23-16)14(17)10-6-7-10/h2-5,8-10,14H,6-7,17H2,1H3.
What are the key properties of cyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine?
cyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 311.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-[1-(2-methoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 167937797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).