N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide

C13H13ClFN3O2 — CID 109038794

IUPACN-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
SMILESCc1cc(NCCC(=O)Nc2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C13H13ClFN3O2/c1-8-6-12(18-20-8)16-5-4-13(19)17-9-2-3-11(15)10(14)7-9/h2-3,6-7H,4-5H2,1H3,(H,16,18)(H,17,19)
InChIKeyDQGHIZCFFQAKDN-UHFFFAOYSA-N
MW297.72 g/mol
LogP3.22
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide

N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide (PubChem CID 109038794) has the molecular formula C13H13ClFN3O2 and a molecular weight of 297.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
PubChem CID109038794
Molecular FormulaC13H13ClFN3O2
Molecular Weight297.72 g/mol
Exact Mass297.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
SMILESCc1cc(NCCC(=O)Nc2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C13H13ClFN3O2/c1-8-6-12(18-20-8)16-5-4-13(19)17-9-2-3-11(15)10(14)7-9/h2-3,6-7H,4-5H2,1H3,(H,16,18)(H,17,19)
InChIKeyDQGHIZCFFQAKDN-UHFFFAOYSA-N
XLogP3.22
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042633
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334
N-(3-chloro-4-fluorophenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 7959729
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47245192
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042249
N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035868
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
N-(2,6-difluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042862
N-(4-acetylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109041036
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042632

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide (CID 109038794) is N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide is Cc1cc(NCCC(=O)Nc2ccc(F)c(Cl)c2)no1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
The InChIKey is DQGHIZCFFQAKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2/c1-8-6-12(18-20-8)16-5-4-13(19)17-9-2-3-11(15)10(14)7-9/h2-3,6-7H,4-5H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide has a molecular weight of 297.72 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide is sourced from PubChem (CID 109038794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).