[4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C18H18N4O3 — CID 16740902

IUPAC[4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOc1cccc(C2c3nc[nH]c3CCN2C(=O)c2cc(C)on2)c1
InChIInChI=1S/C18H18N4O3/c1-11-8-15(21-25-11)18(23)22-7-6-14-16(20-10-19-14)17(22)12-4-3-5-13(9-12)24-2/h3-5,8-10,17H,6-7H2,1-2H3,(H,19,20)
InChIKeyTUCIEWMAKZUKHZ-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.50
Rot. Bonds3

About [4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 16740902) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID16740902
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name[4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOc1cccc(C2c3nc[nH]c3CCN2C(=O)c2cc(C)on2)c1
InChIInChI=1S/C18H18N4O3/c1-11-8-15(21-25-11)18(23)22-7-6-14-16(20-10-19-14)17(22)12-4-3-5-13(9-12)24-2/h3-5,8-10,17H,6-7H2,1-2H3,(H,19,20)
InChIKeyTUCIEWMAKZUKHZ-UHFFFAOYSA-N
XLogP2.50
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 16740902) is [4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is COc1cccc(C2c3nc[nH]c3CCN2C(=O)c2cc(C)on2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is TUCIEWMAKZUKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11-8-15(21-25-11)18(23)22-7-6-14-16(20-10-19-14)17(22)12-4-3-5-13(9-12)24-2/h3-5,8-10,17H,6-7H2,1-2H3,(H,19,20).
What are the key properties of [4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 338.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 16740902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).