(3-methyl-1,2-oxazol-5-yl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

C19H20N4O2 — CID 84594150

IUPAC(3-methyl-1,2-oxazol-5-yl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)on1
InChIInChI=1S/C19H20N4O2/c1-14-11-18(25-21-14)19(24)22-10-8-17-16(12-22)20-13-23(17)9-7-15-5-3-2-4-6-15/h2-6,11,13H,7-10,12H2,1H3
InChIKeyLPLUFUSXZYFLMS-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.62
Rot. Bonds4

About (3-methyl-1,2-oxazol-5-yl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

(3-methyl-1,2-oxazol-5-yl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 84594150) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID84594150
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(3-methyl-1,2-oxazol-5-yl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)on1
InChIInChI=1S/C19H20N4O2/c1-14-11-18(25-21-14)19(24)22-10-8-17-16(12-22)20-13-23(17)9-7-15-5-3-2-4-6-15/h2-6,11,13H,7-10,12H2,1H3
InChIKeyLPLUFUSXZYFLMS-UHFFFAOYSA-N
XLogP2.62
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (CID 84594150) is (3-methyl-1,2-oxazol-5-yl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is Cc1cc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is LPLUFUSXZYFLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-11-18(25-21-14)19(24)22-10-8-17-16(12-22)20-13-23(17)9-7-15-5-3-2-4-6-15/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
(3-methyl-1,2-oxazol-5-yl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 84594150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).