N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide

C25H28N2O5 — CID 134226841

IUPACN-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1oc(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)nc1C
InChIInChI=1S/C25H28N2O5/c1-16(26-18(3)28)14-30-25-17(2)27-24(32-25)20-9-11-21(12-10-20)31-23-6-4-5-22(13-23)29-15-19-7-8-19/h4-6,9-13,16,19H,7-8,14-15H2,1-3H3,(H,26,28)/t16-/m0/s1
InChIKeyZGICUYGKYKBRFP-INIZCTEOSA-N
MW436.51 g/mol
LogP5.13
Rot. Bonds10

About N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide

N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide (PubChem CID 134226841) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
PubChem CID134226841
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC NameN-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1oc(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)nc1C
InChIInChI=1S/C25H28N2O5/c1-16(26-18(3)28)14-30-25-17(2)27-24(32-25)20-9-11-21(12-10-20)31-23-6-4-5-22(13-23)29-15-19-7-8-19/h4-6,9-13,16,19H,7-8,14-15H2,1-3H3,(H,26,28)/t16-/m0/s1
InChIKeyZGICUYGKYKBRFP-INIZCTEOSA-N
XLogP5.13
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide (CID 134226841) is N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide is CC(=O)N[C@@H](C)COc1oc(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)nc1C.
What is the InChIKey of N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide?
The InChIKey is ZGICUYGKYKBRFP-INIZCTEOSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-16(26-18(3)28)14-30-25-17(2)27-24(32-25)20-9-11-21(12-10-20)31-23-6-4-5-22(13-23)29-15-19-7-8-19/h4-6,9-13,16,19H,7-8,14-15H2,1-3H3,(H,26,28)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide?
N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide has a molecular weight of 436.51 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide is sourced from PubChem (CID 134226841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).