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

C20H23N3O3 — CID 30260483

IUPACN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCN(C)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1ccco1
InChIInChI=1S/C20H23N3O3/c1-23(2)16(17-9-6-12-25-17)13-21-19(24)10-11-20-22-14-18(26-20)15-7-4-3-5-8-15/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyQDKJTJXLRCCALW-INIZCTEOSA-N
MW353.42 g/mol
LogP3.29
Rot. Bonds8

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

N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 30260483) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID30260483
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCN(C)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1ccco1
InChIInChI=1S/C20H23N3O3/c1-23(2)16(17-9-6-12-25-17)13-21-19(24)10-11-20-22-14-18(26-20)15-7-4-3-5-8-15/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyQDKJTJXLRCCALW-INIZCTEOSA-N
XLogP3.29
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 30260483) is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is CN(C)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1ccco1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is QDKJTJXLRCCALW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-23(2)16(17-9-6-12-25-17)13-21-19(24)10-11-20-22-14-18(26-20)15-7-4-3-5-8-15/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 353.42 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 30260483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).