3-(4-chlorophenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C19H21ClN4O — CID 56738544

IUPAC3-(4-chlorophenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)n1ccnc1CN1CCc2onc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C19H21ClN4O/c1-13(2)24-10-8-21-18(24)12-23-9-7-17-16(11-23)19(22-25-17)14-3-5-15(20)6-4-14/h3-6,8,10,13H,7,9,11-12H2,1-2H3
InChIKeyYIZISXGVHYSRHP-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.33
Rot. Bonds4

About 3-(4-chlorophenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

3-(4-chlorophenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 56738544) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID56738544
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name3-(4-chlorophenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)n1ccnc1CN1CCc2onc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C19H21ClN4O/c1-13(2)24-10-8-21-18(24)12-23-9-7-17-16(11-23)19(22-25-17)14-3-5-15(20)6-4-14/h3-6,8,10,13H,7,9,11-12H2,1-2H3
InChIKeyYIZISXGVHYSRHP-UHFFFAOYSA-N
XLogP4.33
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 56738544) is 3-(4-chlorophenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CC(C)n1ccnc1CN1CCc2onc(-c3ccc(Cl)cc3)c2C1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is YIZISXGVHYSRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-13(2)24-10-8-21-18(24)12-23-9-7-17-16(11-23)19(22-25-17)14-3-5-15(20)6-4-14/h3-6,8,10,13H,7,9,11-12H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(4-chlorophenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 356.86 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 56738544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).