N-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide

C25H28N2O4 — CID 134226791

IUPACN-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)o1
InChIInChI=1S/C25H28N2O4/c1-17(27-18(2)28)6-11-24-15-26-25(31-24)20-9-12-21(13-10-20)30-23-5-3-4-22(14-23)29-16-19-7-8-19/h3-5,9-10,12-15,17,19H,6-8,11,16H2,1-2H3,(H,27,28)
InChIKeyFAZFLUNBBZNSLJ-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.38
Rot. Bonds10

About N-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide

N-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide (PubChem CID 134226791) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide
PubChem CID134226791
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)o1
InChIInChI=1S/C25H28N2O4/c1-17(27-18(2)28)6-11-24-15-26-25(31-24)20-9-12-21(13-10-20)30-23-5-3-4-22(14-23)29-16-19-7-8-19/h3-5,9-10,12-15,17,19H,6-8,11,16H2,1-2H3,(H,27,28)
InChIKeyFAZFLUNBBZNSLJ-UHFFFAOYSA-N
XLogP5.38
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide?
The IUPAC name of N-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide (CID 134226791) is N-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide.
What is the SMILES notation for N-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide?
The canonical SMILES for N-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide is CC(=O)NC(C)CCc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)o1.
What is the InChIKey of N-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide?
The InChIKey is FAZFLUNBBZNSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-17(27-18(2)28)6-11-24-15-26-25(31-24)20-9-12-21(13-10-20)30-23-5-3-4-22(14-23)29-16-19-7-8-19/h3-5,9-10,12-15,17,19H,6-8,11,16H2,1-2H3,(H,27,28).
What are the key properties of N-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide?
N-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 5.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide is sourced from PubChem (CID 134226791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).