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

C20H22FN3O3 — CID 43042088

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCN(C)C(CNC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccco1
InChIInChI=1S/C20H22FN3O3/c1-24(2)16(17-8-5-11-26-17)12-22-19(25)9-10-20-23-13-18(27-20)14-6-3-4-7-15(14)21/h3-8,11,13,16H,9-10,12H2,1-2H3,(H,22,25)
InChIKeyDNCXRDSBSQLJQM-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.43
Rot. Bonds8

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

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 43042088) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID43042088
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCN(C)C(CNC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccco1
InChIInChI=1S/C20H22FN3O3/c1-24(2)16(17-8-5-11-26-17)12-22-19(25)9-10-20-23-13-18(27-20)14-6-3-4-7-15(14)21/h3-8,11,13,16H,9-10,12H2,1-2H3,(H,22,25)
InChIKeyDNCXRDSBSQLJQM-UHFFFAOYSA-N
XLogP3.43
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 43042088) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is CN(C)C(CNC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is DNCXRDSBSQLJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-24(2)16(17-8-5-11-26-17)12-22-19(25)9-10-20-23-13-18(27-20)14-6-3-4-7-15(14)21/h3-8,11,13,16H,9-10,12H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 371.41 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 43042088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).