4-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole

C20H25N3O — CID 24825525

IUPAC4-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(Cc2cnc[nH]2)cc(C2=NC(CC3CCCCC3)CO2)c1
InChIInChI=1S/C20H25N3O/c1-2-5-15(6-3-1)10-19-13-24-20(23-19)17-8-4-7-16(9-17)11-18-12-21-14-22-18/h4,7-9,12,14-15,19H,1-3,5-6,10-11,13H2,(H,21,22)
InChIKeyMWHGHYXTLRCVSG-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.12
Rot. Bonds5

About 4-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole

4-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 24825525) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID24825525
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(Cc2cnc[nH]2)cc(C2=NC(CC3CCCCC3)CO2)c1
InChIInChI=1S/C20H25N3O/c1-2-5-15(6-3-1)10-19-13-24-20(23-19)17-8-4-7-16(9-17)11-18-12-21-14-22-18/h4,7-9,12,14-15,19H,1-3,5-6,10-11,13H2,(H,21,22)
InChIKeyMWHGHYXTLRCVSG-UHFFFAOYSA-N
XLogP4.12
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 24825525) is 4-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole is c1cc(Cc2cnc[nH]2)cc(C2=NC(CC3CCCCC3)CO2)c1.
What is the InChIKey of 4-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is MWHGHYXTLRCVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-5-15(6-3-1)10-19-13-24-20(23-19)17-8-4-7-16(9-17)11-18-12-21-14-22-18/h4,7-9,12,14-15,19H,1-3,5-6,10-11,13H2,(H,21,22).
What are the key properties of 4-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
4-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 323.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 24825525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).