3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide

C18H15F2N3O2 — CID 17453135

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1
InChIInChI=1S/C18H15F2N3O2/c1-11-6-7-21-16(8-11)23-17(24)4-5-18-22-10-15(25-18)13-3-2-12(19)9-14(13)20/h2-3,6-10H,4-5H2,1H3,(H,21,23,24)
InChIKeyZBQXJVPDROZNRL-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.89
Rot. Bonds5

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 17453135) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID17453135
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1
InChIInChI=1S/C18H15F2N3O2/c1-11-6-7-21-16(8-11)23-17(24)4-5-18-22-10-15(25-18)13-3-2-12(19)9-14(13)20/h2-3,6-10H,4-5H2,1H3,(H,21,23,24)
InChIKeyZBQXJVPDROZNRL-UHFFFAOYSA-N
XLogP3.89
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide (CID 17453135) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide is Cc1ccnc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is ZBQXJVPDROZNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-11-6-7-21-16(8-11)23-17(24)4-5-18-22-10-15(25-18)13-3-2-12(19)9-14(13)20/h2-3,6-10H,4-5H2,1H3,(H,21,23,24).
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 343.33 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 17453135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).