N-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide

C25H29FN4O2 — CID 24719362

IUPACN-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCN(C)CCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccccc1F
InChIInChI=1S/C25H29FN4O2/c1-28(2)16-17-30(24(31)20-12-6-7-13-22(20)26)18-21-23(19-10-4-3-5-11-19)27-32-25(21)29-14-8-9-15-29/h3-7,10-13H,8-9,14-18H2,1-2H3
InChIKeyHCAHLTVKRYVZMR-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.28
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide

N-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (PubChem CID 24719362) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
PubChem CID24719362
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC NameN-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCN(C)CCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccccc1F
InChIInChI=1S/C25H29FN4O2/c1-28(2)16-17-30(24(31)20-12-6-7-13-22(20)26)18-21-23(19-10-4-3-5-11-19)27-32-25(21)29-14-8-9-15-29/h3-7,10-13H,8-9,14-18H2,1-2H3
InChIKeyHCAHLTVKRYVZMR-UHFFFAOYSA-N
XLogP4.28
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (CID 24719362) is N-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is CN(C)CCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccccc1F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The InChIKey is HCAHLTVKRYVZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-28(2)16-17-30(24(31)20-12-6-7-13-22(20)26)18-21-23(19-10-4-3-5-11-19)27-32-25(21)29-14-8-9-15-29/h3-7,10-13H,8-9,14-18H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide has a molecular weight of 436.53 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 24719362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).