3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide

C20H21F2N3O3 — CID 30260533

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
SMILESCN(C)[C@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccco1
InChIInChI=1S/C20H21F2N3O3/c1-25(2)16(17-4-3-9-27-17)11-23-19(26)7-8-20-24-12-18(28-20)14-6-5-13(21)10-15(14)22/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyZZCICAPPZLTLDN-MRXNPFEDSA-N
MW389.40 g/mol
LogP3.56
Rot. Bonds8

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide (PubChem CID 30260533) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
PubChem CID30260533
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
SMILESCN(C)[C@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccco1
InChIInChI=1S/C20H21F2N3O3/c1-25(2)16(17-4-3-9-27-17)11-23-19(26)7-8-20-24-12-18(28-20)14-6-5-13(21)10-15(14)22/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyZZCICAPPZLTLDN-MRXNPFEDSA-N
XLogP3.56
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide (CID 30260533) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide is CN(C)[C@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccco1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide?
The InChIKey is ZZCICAPPZLTLDN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-25(2)16(17-4-3-9-27-17)11-23-19(26)7-8-20-24-12-18(28-20)14-6-5-13(21)10-15(14)22/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,23,26)/t16-/m1/s1.
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide has a molecular weight of 389.40 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide is sourced from PubChem (CID 30260533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).