N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-1,2,4-oxadiazol-3-amine

C14H15N5O — CID 133482511

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESCn1ccnc1CCNc1noc(-c2ccccc2)n1
InChIInChI=1S/C14H15N5O/c1-19-10-9-15-12(19)7-8-16-14-17-13(20-18-14)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,18)
InChIKeyVACVJIYBKMJKHB-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.12
Rot. Bonds5

About N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-1,2,4-oxadiazol-3-amine

N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-1,2,4-oxadiazol-3-amine (PubChem CID 133482511) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-1,2,4-oxadiazol-3-amine
PubChem CID133482511
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESCn1ccnc1CCNc1noc(-c2ccccc2)n1
InChIInChI=1S/C14H15N5O/c1-19-10-9-15-12(19)7-8-16-14-17-13(20-18-14)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,18)
InChIKeyVACVJIYBKMJKHB-UHFFFAOYSA-N
XLogP2.12
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62870794
N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 91773380
4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 83182047
5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 79556038
2,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527594
4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637048
1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one
CID 133482727
2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 61212219
2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527510
5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine
CID 105362496
6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 63587851
5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine
CID 133482477

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-1,2,4-oxadiazol-3-amine (CID 133482511) is N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-1,2,4-oxadiazol-3-amine is Cn1ccnc1CCNc1noc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The InChIKey is VACVJIYBKMJKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-19-10-9-15-12(19)7-8-16-14-17-13(20-18-14)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,18).
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-1,2,4-oxadiazol-3-amine?
N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-1,2,4-oxadiazol-3-amine has a molecular weight of 269.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133482511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).