3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole

C19H22N4O2 — CID 95867187

IUPAC3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole
SMILESCc1cc([C@H]2c3nc[nH]c3CCN2CCOCc2ccccc2)on1
InChIInChI=1S/C19H22N4O2/c1-14-11-17(25-22-14)19-18-16(20-13-21-18)7-8-23(19)9-10-24-12-15-5-3-2-4-6-15/h2-6,11,13,19H,7-10,12H2,1H3,(H,20,21)/t19-/m0/s1
InChIKeyUXDIFLMCKWFFCV-IBGZPJMESA-N
MW338.41 g/mol
LogP2.87
Rot. Bonds6

About 3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole

3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole (PubChem CID 95867187) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole
PubChem CID95867187
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole
SMILESCc1cc([C@H]2c3nc[nH]c3CCN2CCOCc2ccccc2)on1
InChIInChI=1S/C19H22N4O2/c1-14-11-17(25-22-14)19-18-16(20-13-21-18)7-8-23(19)9-10-24-12-15-5-3-2-4-6-15/h2-6,11,13,19H,7-10,12H2,1H3,(H,20,21)/t19-/m0/s1
InChIKeyUXDIFLMCKWFFCV-IBGZPJMESA-N
XLogP2.87
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole (CID 95867187) is 3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole is Cc1cc([C@H]2c3nc[nH]c3CCN2CCOCc2ccccc2)on1.
What is the InChIKey of 3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole?
The InChIKey is UXDIFLMCKWFFCV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-11-17(25-22-14)19-18-16(20-13-21-18)7-8-23(19)9-10-24-12-15-5-3-2-4-6-15/h2-6,11,13,19H,7-10,12H2,1H3,(H,20,21)/t19-/m0/s1.
What are the key properties of 3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole?
3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole has a molecular weight of 338.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole is sourced from PubChem (CID 95867187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).