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

C19H20N4O — CID 136563431

IUPAC3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole
SMILESc1ccc(C2c3nc[nH]c3CCN2Cc2cc(C3CC3)no2)cc1
InChIInChI=1S/C19H20N4O/c1-2-4-14(5-3-1)19-18-16(20-12-21-18)8-9-23(19)11-15-10-17(22-24-15)13-6-7-13/h1-5,10,12-13,19H,6-9,11H2,(H,20,21)
InChIKeyFKCJZKQHUWGSFH-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.42
Rot. Bonds4

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

3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole (PubChem CID 136563431) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole
PubChem CID136563431
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole
SMILESc1ccc(C2c3nc[nH]c3CCN2Cc2cc(C3CC3)no2)cc1
InChIInChI=1S/C19H20N4O/c1-2-4-14(5-3-1)19-18-16(20-12-21-18)8-9-23(19)11-15-10-17(22-24-15)13-6-7-13/h1-5,10,12-13,19H,6-9,11H2,(H,20,21)
InChIKeyFKCJZKQHUWGSFH-UHFFFAOYSA-N
XLogP3.42
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole with MolForge

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Related Compounds

5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole
CID 95896778
3-[(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 95213135
3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 95213134
3-[(4S)-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 95204512
5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56720073
(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95218766
5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56714216
4-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56718192
5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56719547
N-cyclopentyl-4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 138007076
4-(3,4-dichlorophenyl)-5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56901709
3-methyl-5-[[(4S)-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
CID 95216096

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole (CID 136563431) is 3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole is c1ccc(C2c3nc[nH]c3CCN2Cc2cc(C3CC3)no2)cc1.
What is the InChIKey of 3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole?
The InChIKey is FKCJZKQHUWGSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-4-14(5-3-1)19-18-16(20-12-21-18)8-9-23(19)11-15-10-17(22-24-15)13-6-7-13/h1-5,10,12-13,19H,6-9,11H2,(H,20,21).
What are the key properties of 3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole?
3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole has a molecular weight of 320.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 136563431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).