3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one

C21H21N5O2 — CID 24985874

IUPAC3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(-c4cnco4)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C21H21N5O2/c27-21-25-19-20(26(21)12-14-4-2-1-3-5-14)24-17(10-23-19)15-6-8-16(9-7-15)18-11-22-13-28-18/h6-11,13-14H,1-5,12H2,(H,23,25,27)
InChIKeyFBUAMMUFCNRJOI-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.02
Rot. Bonds4

About 3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one

3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 24985874) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID24985874
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(-c4cnco4)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C21H21N5O2/c27-21-25-19-20(26(21)12-14-4-2-1-3-5-14)24-17(10-23-19)15-6-8-16(9-7-15)18-11-22-13-28-18/h6-11,13-14H,1-5,12H2,(H,23,25,27)
InChIKeyFBUAMMUFCNRJOI-UHFFFAOYSA-N
XLogP4.02
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one (CID 24985874) is 3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2ncc(-c3ccc(-c4cnco4)cc3)nc2n1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is FBUAMMUFCNRJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-21-25-19-20(26(21)12-14-4-2-1-3-5-14)24-17(10-23-19)15-6-8-16(9-7-15)18-11-22-13-28-18/h6-11,13-14H,1-5,12H2,(H,23,25,27).
What are the key properties of 3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 375.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 24985874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).