3-phenyl-5-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1,2-oxazole

C15H14N4O — CID 95198470

IUPAC3-phenyl-5-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1,2-oxazole
SMILESc1ccc(-c2cc([C@@H]3NCCc4[nH]cnc43)on2)cc1
InChIInChI=1S/C15H14N4O/c1-2-4-10(5-3-1)12-8-13(20-19-12)15-14-11(6-7-16-15)17-9-18-14/h1-5,8-9,15-16H,6-7H2,(H,17,18)/t15-/m0/s1
InChIKeyUDCULIIAGNODNL-HNNXBMFYSA-N
MW266.30 g/mol
LogP2.30
Rot. Bonds2

About 3-phenyl-5-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1,2-oxazole

3-phenyl-5-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1,2-oxazole (PubChem CID 95198470) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-phenyl-5-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1,2-oxazole
PubChem CID95198470
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-phenyl-5-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1,2-oxazole
SMILESc1ccc(-c2cc([C@@H]3NCCc4[nH]cnc43)on2)cc1
InChIInChI=1S/C15H14N4O/c1-2-4-10(5-3-1)12-8-13(20-19-12)15-14-11(6-7-16-15)17-9-18-14/h1-5,8-9,15-16H,6-7H2,(H,17,18)/t15-/m0/s1
InChIKeyUDCULIIAGNODNL-HNNXBMFYSA-N
XLogP2.30
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1,2-oxazole?
The IUPAC name of 3-phenyl-5-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1,2-oxazole (CID 95198470) is 3-phenyl-5-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1,2-oxazole is c1ccc(-c2cc([C@@H]3NCCc4[nH]cnc43)on2)cc1.
What is the InChIKey of 3-phenyl-5-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1,2-oxazole?
The InChIKey is UDCULIIAGNODNL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-4-10(5-3-1)12-8-13(20-19-12)15-14-11(6-7-16-15)17-9-18-14/h1-5,8-9,15-16H,6-7H2,(H,17,18)/t15-/m0/s1.
What are the key properties of 3-phenyl-5-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1,2-oxazole?
3-phenyl-5-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1,2-oxazole has a molecular weight of 266.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1,2-oxazole is sourced from PubChem (CID 95198470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).