3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one

C18H15N5O2 — CID 167833277

IUPAC3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one
SMILESCc1ccc(-c2noc(-c3ccc(-n4cc[nH]c4=O)cc3)n2)nc1C
InChIInChI=1S/C18H15N5O2/c1-11-3-8-15(20-12(11)2)16-21-17(25-22-16)13-4-6-14(7-5-13)23-10-9-19-18(23)24/h3-10H,1-2H3,(H,19,24)
InChIKeyBRXYYIKVWHZZAX-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.89
Rot. Bonds3

About 3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one

3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one (PubChem CID 167833277) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one
PubChem CID167833277
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one
SMILESCc1ccc(-c2noc(-c3ccc(-n4cc[nH]c4=O)cc3)n2)nc1C
InChIInChI=1S/C18H15N5O2/c1-11-3-8-15(20-12(11)2)16-21-17(25-22-16)13-4-6-14(7-5-13)23-10-9-19-18(23)24/h3-10H,1-2H3,(H,19,24)
InChIKeyBRXYYIKVWHZZAX-UHFFFAOYSA-N
XLogP2.89
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one (CID 167833277) is 3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one is Cc1ccc(-c2noc(-c3ccc(-n4cc[nH]c4=O)cc3)n2)nc1C.
What is the InChIKey of 3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one?
The InChIKey is BRXYYIKVWHZZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-11-3-8-15(20-12(11)2)16-21-17(25-22-16)13-4-6-14(7-5-13)23-10-9-19-18(23)24/h3-10H,1-2H3,(H,19,24).
What are the key properties of 3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one?
3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one has a molecular weight of 333.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 167833277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).