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

C19H17Cl2N3O3 — CID 37485188

IUPAC3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
SMILESCOc1ncccc1CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H17Cl2N3O3/c1-26-19-12(3-2-8-22-19)10-23-17(25)6-7-18-24-11-16(27-18)14-5-4-13(20)9-15(14)21/h2-5,8-9,11H,6-7,10H2,1H3,(H,23,25)
InChIKeyBPBOQHIOHFIGIM-UHFFFAOYSA-N
MW406.27 g/mol
LogP4.30
Rot. Bonds7

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

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide (PubChem CID 37485188) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
PubChem CID37485188
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
SMILESCOc1ncccc1CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H17Cl2N3O3/c1-26-19-12(3-2-8-22-19)10-23-17(25)6-7-18-24-11-16(27-18)14-5-4-13(20)9-15(14)21/h2-5,8-9,11H,6-7,10H2,1H3,(H,23,25)
InChIKeyBPBOQHIOHFIGIM-UHFFFAOYSA-N
XLogP4.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 17444318
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
CID 51312308
3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38535689
N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590219
N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590165
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide
CID 46447057
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride
CID 120653572
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide
CID 30039999
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 29416058
N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42931318

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide (CID 37485188) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide is COc1ncccc1CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The InChIKey is BPBOQHIOHFIGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3/c1-26-19-12(3-2-8-22-19)10-23-17(25)6-7-18-24-11-16(27-18)14-5-4-13(20)9-15(14)21/h2-5,8-9,11H,6-7,10H2,1H3,(H,23,25).
What are the key properties of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide has a molecular weight of 406.27 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 37485188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).