N-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

C16H19FN4O3 — CID 42771590

IUPACN-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCN(C)CCN(CC(=O)Nc1ccon1)C(=O)c1cccc(F)c1
InChIInChI=1S/C16H19FN4O3/c1-20(2)7-8-21(11-15(22)18-14-6-9-24-19-14)16(23)12-4-3-5-13(17)10-12/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,19,22)
InChIKeyFUSLQVYHPSBQCF-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.46
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

N-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (PubChem CID 42771590) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
PubChem CID42771590
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC NameN-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCN(C)CCN(CC(=O)Nc1ccon1)C(=O)c1cccc(F)c1
InChIInChI=1S/C16H19FN4O3/c1-20(2)7-8-21(11-15(22)18-14-6-9-24-19-14)16(23)12-4-3-5-13(17)10-12/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,19,22)
InChIKeyFUSLQVYHPSBQCF-UHFFFAOYSA-N
XLogP1.46
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide
CID 813670
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087470
N-(3-methylbutyl)-3-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4078312
N-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 808496
N-ethyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 814467
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide
CID 4505979
N-ethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 814489
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 16598734
4-butyl-N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3705087
N-ethyl-2,2-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 814450
2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 3682537
2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide
CID 42770937

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (CID 42771590) is N-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is CN(C)CCN(CC(=O)Nc1ccon1)C(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The InChIKey is FUSLQVYHPSBQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-20(2)7-8-21(11-15(22)18-14-6-9-24-19-14)16(23)12-4-3-5-13(17)10-12/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,19,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
N-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide has a molecular weight of 334.35 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 42771590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).