4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine

C27H31FN4O3 — CID 127036063

IUPAC4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1F
InChIInChI=1S/C27H31FN4O3/c1-18-27(19(2)35-30-18)21-6-7-24-23(17-21)29-26(32(24)11-10-31-12-14-34-15-13-31)9-5-20-4-8-25(33-3)22(28)16-20/h4,6-8,16-17H,5,9-15H2,1-3H3
InChIKeyZJDSITLRPIMJOP-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.57
Rot. Bonds8

About 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine

4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine (PubChem CID 127036063) has the molecular formula C27H31FN4O3 and a molecular weight of 478.57 g/mol. Its IUPAC name is 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine
PubChem CID127036063
Molecular FormulaC27H31FN4O3
Molecular Weight478.57 g/mol
Exact Mass478.24
IUPAC Name4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1F
InChIInChI=1S/C27H31FN4O3/c1-18-27(19(2)35-30-18)21-6-7-24-23(17-21)29-26(32(24)11-10-31-12-14-34-15-13-31)9-5-20-4-8-25(33-3)22(28)16-20/h4,6-8,16-17H,5,9-15H2,1-3H3
InChIKeyZJDSITLRPIMJOP-UHFFFAOYSA-N
XLogP4.57
TPSA65.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine (CID 127036063) is 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine is COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1F.
What is the InChIKey of 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine?
The InChIKey is ZJDSITLRPIMJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O3/c1-18-27(19(2)35-30-18)21-6-7-24-23(17-21)29-26(32(24)11-10-31-12-14-34-15-13-31)9-5-20-4-8-25(33-3)22(28)16-20/h4,6-8,16-17H,5,9-15H2,1-3H3.
What are the key properties of 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine?
4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine has a molecular weight of 478.57 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 127036063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).