2,2-dichloro-N-[3-[3-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide

C17H13Cl2N3O2 — CID 10361254

IUPAC2,2-dichloro-N-[3-[3-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide
SMILESCc1cccnc1-c1cc(-c2cccc(NC(=O)C(Cl)Cl)c2)on1
InChIInChI=1S/C17H13Cl2N3O2/c1-10-4-3-7-20-15(10)13-9-14(24-22-13)11-5-2-6-12(8-11)21-17(23)16(18)19/h2-9,16H,1H3,(H,21,23)
InChIKeyLKTBQBWYNUCKSM-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.45
Rot. Bonds4

About 2,2-dichloro-N-[3-[3-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide

2,2-dichloro-N-[3-[3-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide (PubChem CID 10361254) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 2,2-dichloro-N-[3-[3-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[3-[3-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide
PubChem CID10361254
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name2,2-dichloro-N-[3-[3-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide
SMILESCc1cccnc1-c1cc(-c2cccc(NC(=O)C(Cl)Cl)c2)on1
InChIInChI=1S/C17H13Cl2N3O2/c1-10-4-3-7-20-15(10)13-9-14(24-22-13)11-5-2-6-12(8-11)21-17(23)16(18)19/h2-9,16H,1H3,(H,21,23)
InChIKeyLKTBQBWYNUCKSM-UHFFFAOYSA-N
XLogP4.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[3-[3-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide (CID 10361254) is 2,2-dichloro-N-[3-[3-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[3-[3-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[3-[3-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide is Cc1cccnc1-c1cc(-c2cccc(NC(=O)C(Cl)Cl)c2)on1.
What is the InChIKey of 2,2-dichloro-N-[3-[3-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide?
The InChIKey is LKTBQBWYNUCKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c1-10-4-3-7-20-15(10)13-9-14(24-22-13)11-5-2-6-12(8-11)21-17(23)16(18)19/h2-9,16H,1H3,(H,21,23).
What are the key properties of 2,2-dichloro-N-[3-[3-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide?
2,2-dichloro-N-[3-[3-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide has a molecular weight of 362.22 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[3-[3-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 10361254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).