2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide

C25H23ClN2O3 — CID 3623974

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
SMILESCc1ccc2oc(-c3ccc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)nc2c1
InChIInChI=1S/C25H23ClN2O3/c1-15-5-12-22-21(13-15)27-23(30-22)17-7-6-16(2)20(14-17)28-24(29)25(3,4)31-19-10-8-18(26)9-11-19/h5-14H,1-4H3,(H,28,29)
InChIKeyZTZDYGUBRIWCBQ-UHFFFAOYSA-N
MW434.92 g/mol
LogP6.56
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide (PubChem CID 3623974) has the molecular formula C25H23ClN2O3 and a molecular weight of 434.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
PubChem CID3623974
Molecular FormulaC25H23ClN2O3
Molecular Weight434.92 g/mol
Exact Mass434.14
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
SMILESCc1ccc2oc(-c3ccc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)nc2c1
InChIInChI=1S/C25H23ClN2O3/c1-15-5-12-22-21(13-15)27-23(30-22)17-7-6-16(2)20(14-17)28-24(29)25(3,4)31-19-10-8-18(26)9-11-19/h5-14H,1-4H3,(H,28,29)
InChIKeyZTZDYGUBRIWCBQ-UHFFFAOYSA-N
XLogP6.56
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.92
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide (CID 3623974) is 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide is Cc1ccc2oc(-c3ccc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)nc2c1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide?
The InChIKey is ZTZDYGUBRIWCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3/c1-15-5-12-22-21(13-15)27-23(30-22)17-7-6-16(2)20(14-17)28-24(29)25(3,4)31-19-10-8-18(26)9-11-19/h5-14H,1-4H3,(H,28,29).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide has a molecular weight of 434.92 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 3623974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).