2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide

C23H22Cl3N3O4 — CID 3007268

IUPAC2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
SMILESO=C(Nc1cccc(-c2cc(-c3c(Cl)cccc3OCCN3CCOCC3)no2)c1)C(Cl)Cl
InChIInChI=1S/C23H22Cl3N3O4/c24-17-5-2-6-19(32-12-9-29-7-10-31-11-8-29)21(17)18-14-20(33-28-18)15-3-1-4-16(13-15)27-23(30)22(25)26/h1-6,13-14,22H,7-12H2,(H,27,30)
InChIKeyYCPBOAKAQGBSGT-UHFFFAOYSA-N
MW510.81 g/mol
LogP5.12
Rot. Bonds8

About 2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide

2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide (PubChem CID 3007268) has the molecular formula C23H22Cl3N3O4 and a molecular weight of 510.81 g/mol. Its IUPAC name is 2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
PubChem CID3007268
Molecular FormulaC23H22Cl3N3O4
Molecular Weight510.81 g/mol
Exact Mass509.07
IUPAC Name2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
SMILESO=C(Nc1cccc(-c2cc(-c3c(Cl)cccc3OCCN3CCOCC3)no2)c1)C(Cl)Cl
InChIInChI=1S/C23H22Cl3N3O4/c24-17-5-2-6-19(32-12-9-29-7-10-31-11-8-29)21(17)18-14-20(33-28-18)15-3-1-4-16(13-15)27-23(30)22(25)26/h1-6,13-14,22H,7-12H2,(H,27,30)
InChIKeyYCPBOAKAQGBSGT-UHFFFAOYSA-N
XLogP5.12
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.81
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide (CID 3007268) is 2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide is O=C(Nc1cccc(-c2cc(-c3c(Cl)cccc3OCCN3CCOCC3)no2)c1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide?
The InChIKey is YCPBOAKAQGBSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl3N3O4/c24-17-5-2-6-19(32-12-9-29-7-10-31-11-8-29)21(17)18-14-20(33-28-18)15-3-1-4-16(13-15)27-23(30)22(25)26/h1-6,13-14,22H,7-12H2,(H,27,30).
What are the key properties of 2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide?
2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide has a molecular weight of 510.81 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 3007268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).