3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide

C15H16FN3O3 — CID 813670

IUPAC3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccon1)C(=O)c1cccc(F)c1
InChIInChI=1S/C15H16FN3O3/c1-2-7-19(10-14(20)17-13-6-8-22-18-13)15(21)11-4-3-5-12(16)9-11/h3-6,8-9H,2,7,10H2,1H3,(H,17,18,20)
InChIKeyMSFMYUJYCOUAAE-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.30
Rot. Bonds6

About 3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide

3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide (PubChem CID 813670) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide
PubChem CID813670
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccon1)C(=O)c1cccc(F)c1
InChIInChI=1S/C15H16FN3O3/c1-2-7-19(10-14(20)17-13-6-8-22-18-13)15(21)11-4-3-5-12(16)9-11/h3-6,8-9H,2,7,10H2,1H3,(H,17,18,20)
InChIKeyMSFMYUJYCOUAAE-UHFFFAOYSA-N
XLogP2.30
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 42771590
2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 3682537
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087470
4-butyl-N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3705087
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
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2,2-diphenyl-N-propylacetamide
CID 42769030
2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769288
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 3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide (CID 813670) is 3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1ccon1)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide?
The InChIKey is MSFMYUJYCOUAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-2-7-19(10-14(20)17-13-6-8-22-18-13)15(21)11-4-3-5-12(16)9-11/h3-6,8-9H,2,7,10H2,1H3,(H,17,18,20).
What are the key properties of 3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide?
3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide has a molecular weight of 305.31 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 813670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).