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

C19H16N4O3 — CID 169163741

IUPAC[(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
SMILESCc1cccc2cc([C@@H]3c4nc[nH]c4CCN3C(=O)c3cnco3)oc12
InChIInChI=1S/C19H16N4O3/c1-11-3-2-4-12-7-14(26-18(11)12)17-16-13(21-9-22-16)5-6-23(17)19(24)15-8-20-10-25-15/h2-4,7-10,17H,5-6H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyFOCJMBTYMNHRBY-QGZVFWFLSA-N
MW348.36 g/mol
LogP3.24
Rot. Bonds2

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

[(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 169163741) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is [(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID169163741
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name[(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
SMILESCc1cccc2cc([C@@H]3c4nc[nH]c4CCN3C(=O)c3cnco3)oc12
InChIInChI=1S/C19H16N4O3/c1-11-3-2-4-12-7-14(26-18(11)12)17-16-13(21-9-22-16)5-6-23(17)19(24)15-8-20-10-25-15/h2-4,7-10,17H,5-6H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyFOCJMBTYMNHRBY-QGZVFWFLSA-N
XLogP3.24
TPSA88.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone with MolForge

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Related Compounds

[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 177297673
[4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 170725094
[4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 170333548
[(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 169164360
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 177297466
[(4S)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone
CID 169164327
[(4R)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 177297275
[(4S)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3,4-thiadiazol-2-yl)methanone
CID 177297672
[(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 177297367
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 169164258
2-cyclopropyl-2,2-difluoro-1-[(4S)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 169163627
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 177297408

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone (CID 169163741) is [(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone is Cc1cccc2cc([C@@H]3c4nc[nH]c4CCN3C(=O)c3cnco3)oc12.
What is the InChIKey of [(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is FOCJMBTYMNHRBY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-11-3-2-4-12-7-14(26-18(11)12)17-16-13(21-9-22-16)5-6-23(17)19(24)15-8-20-10-25-15/h2-4,7-10,17H,5-6H2,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of [(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone?
[(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 348.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 169163741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).