5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole

C20H18N4O2 — CID 95896778

IUPAC5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole
SMILESc1ccc(-c2cc([C@@H]3c4nc[nH]c4CCN3Cc3ccco3)on2)cc1
InChIInChI=1S/C20H18N4O2/c1-2-5-14(6-3-1)17-11-18(26-23-17)20-19-16(21-13-22-19)8-9-24(20)12-15-7-4-10-25-15/h1-7,10-11,13,20H,8-9,12H2,(H,21,22)/t20-/m1/s1
InChIKeyZFWKNXDGXPSQHB-HXUWFJFHSA-N
MW346.39 g/mol
LogP3.81
Rot. Bonds4

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

5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole (PubChem CID 95896778) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole
PubChem CID95896778
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole
SMILESc1ccc(-c2cc([C@@H]3c4nc[nH]c4CCN3Cc3ccco3)on2)cc1
InChIInChI=1S/C20H18N4O2/c1-2-5-14(6-3-1)17-11-18(26-23-17)20-19-16(21-13-22-19)8-9-24(20)12-15-7-4-10-25-15/h1-7,10-11,13,20H,8-9,12H2,(H,21,22)/t20-/m1/s1
InChIKeyZFWKNXDGXPSQHB-HXUWFJFHSA-N
XLogP3.81
TPSA71.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56895048
(4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95220026
3-phenyl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole
CID 56704921
4-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56718192
(4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95209463
3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole
CID 95867187
5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 70764292
(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95218766
(4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95212685
(4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95867307
3-[5-[[(4R)-4-(5-methylfuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 95218319
3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 95213134

Frequently Asked Questions

What is the IUPAC name of 5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole (CID 95896778) is 5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole is c1ccc(-c2cc([C@@H]3c4nc[nH]c4CCN3Cc3ccco3)on2)cc1.
What is the InChIKey of 5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole?
The InChIKey is ZFWKNXDGXPSQHB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-2-5-14(6-3-1)17-11-18(26-23-17)20-19-16(21-13-22-19)8-9-24(20)12-15-7-4-10-25-15/h1-7,10-11,13,20H,8-9,12H2,(H,21,22)/t20-/m1/s1.
What are the key properties of 5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole?
5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole has a molecular weight of 346.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 95896778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).