2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

C19H25NO3 — CID 59836699

IUPAC2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(C3CCC4(CC3)OCCO4)cc2)=N1
InChIInChI=1S/C19H25NO3/c1-18(2)13-21-17(20-18)16-5-3-14(4-6-16)15-7-9-19(10-8-15)22-11-12-23-19/h3-6,15H,7-13H2,1-2H3
InChIKeyINLSIBSODXSTEJ-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.64
Rot. Bonds2

About 2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 59836699) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID59836699
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(C3CCC4(CC3)OCCO4)cc2)=N1
InChIInChI=1S/C19H25NO3/c1-18(2)13-21-17(20-18)16-5-3-14(4-6-16)15-7-9-19(10-8-15)22-11-12-23-19/h3-6,15H,7-13H2,1-2H3
InChIKeyINLSIBSODXSTEJ-UHFFFAOYSA-N
XLogP3.64
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 59836699) is 2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(C3CCC4(CC3)OCCO4)cc2)=N1.
What is the InChIKey of 2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is INLSIBSODXSTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-18(2)13-21-17(20-18)16-5-3-14(4-6-16)15-7-9-19(10-8-15)22-11-12-23-19/h3-6,15H,7-13H2,1-2H3.
What are the key properties of 2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 315.41 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 59836699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).