N-[(5-chlorothiophen-2-yl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide

C20H17ClF2N2O2S — CID 55494569

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C20H17ClF2N2O2S/c1-2-9-25(12-14-4-6-18(21)28-14)20(26)8-7-19-24-11-17(27-19)15-5-3-13(22)10-16(15)23/h2-6,10-11H,1,7-9,12H2
InChIKeyBVPJGHSVXUPQRD-UHFFFAOYSA-N
MW422.88 g/mol
LogP5.48
Rot. Bonds8

About N-[(5-chlorothiophen-2-yl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide

N-[(5-chlorothiophen-2-yl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide (PubChem CID 55494569) has the molecular formula C20H17ClF2N2O2S and a molecular weight of 422.88 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide
PubChem CID55494569
Molecular FormulaC20H17ClF2N2O2S
Molecular Weight422.88 g/mol
Exact Mass422.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C20H17ClF2N2O2S/c1-2-9-25(12-14-4-6-18(21)28-14)20(26)8-7-19-24-11-17(27-19)15-5-3-13(22)10-16(15)23/h2-6,10-11H,1,7-9,12H2
InChIKeyBVPJGHSVXUPQRD-UHFFFAOYSA-N
XLogP5.48
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.88
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide (CID 55494569) is N-[(5-chlorothiophen-2-yl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide is C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide?
The InChIKey is BVPJGHSVXUPQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N2O2S/c1-2-9-25(12-14-4-6-18(21)28-14)20(26)8-7-19-24-11-17(27-19)15-5-3-13(22)10-16(15)23/h2-6,10-11H,1,7-9,12H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide?
N-[(5-chlorothiophen-2-yl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide has a molecular weight of 422.88 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 55494569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).