3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride

C20H20ClN5O3 — CID 118936688

IUPAC3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride
SMILESCOCc1ccc(C)c(Nc2ncc(-c3cncc(-n4cc[nH]c4=O)c3)o2)c1.Cl
InChIInChI=1S/C20H19N5O3.ClH/c1-13-3-4-14(12-27-2)7-17(13)24-19-23-11-18(28-19)15-8-16(10-21-9-15)25-6-5-22-20(25)26;/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24);1H
InChIKeyGXQXLXWLUHEDCD-UHFFFAOYSA-N
MW413.87 g/mol
LogP3.84
Rot. Bonds6

About 3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride

3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride (PubChem CID 118936688) has the molecular formula C20H20ClN5O3 and a molecular weight of 413.87 g/mol. Its IUPAC name is 3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride.

Molecular Properties

Compound Name3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride
PubChem CID118936688
Molecular FormulaC20H20ClN5O3
Molecular Weight413.87 g/mol
Exact Mass413.13
IUPAC Name3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride
SMILESCOCc1ccc(C)c(Nc2ncc(-c3cncc(-n4cc[nH]c4=O)c3)o2)c1.Cl
InChIInChI=1S/C20H19N5O3.ClH/c1-13-3-4-14(12-27-2)7-17(13)24-19-23-11-18(28-19)15-8-16(10-21-9-15)25-6-5-22-20(25)26;/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24);1H
InChIKeyGXQXLXWLUHEDCD-UHFFFAOYSA-N
XLogP3.84
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.87
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride?
The IUPAC name of 3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride (CID 118936688) is 3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride.
What is the SMILES notation for 3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride?
The canonical SMILES for 3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride is COCc1ccc(C)c(Nc2ncc(-c3cncc(-n4cc[nH]c4=O)c3)o2)c1.Cl.
What is the InChIKey of 3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride?
The InChIKey is GXQXLXWLUHEDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3.ClH/c1-13-3-4-14(12-27-2)7-17(13)24-19-23-11-18(28-19)15-8-16(10-21-9-15)25-6-5-22-20(25)26;/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24);1H.
What are the key properties of 3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride?
3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride has a molecular weight of 413.87 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride is sourced from PubChem (CID 118936688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).