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

C15H18ClN3O3 — CID 51097032

IUPAC3-(5-chloro-2-methoxyanilino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)NCc1cc(C)on1
InChIInChI=1S/C15H18ClN3O3/c1-10-7-12(19-22-10)9-18-15(20)5-6-17-13-8-11(16)3-4-14(13)21-2/h3-4,7-8,17H,5-6,9H2,1-2H3,(H,18,20)
InChIKeyHBCYPSXHZFUPSK-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.76
Rot. Bonds7

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

3-(5-chloro-2-methoxyanilino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide (PubChem CID 51097032) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
PubChem CID51097032
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name3-(5-chloro-2-methoxyanilino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)NCc1cc(C)on1
InChIInChI=1S/C15H18ClN3O3/c1-10-7-12(19-22-10)9-18-15(20)5-6-17-13-8-11(16)3-4-14(13)21-2/h3-4,7-8,17H,5-6,9H2,1-2H3,(H,18,20)
InChIKeyHBCYPSXHZFUPSK-UHFFFAOYSA-N
XLogP2.76
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119385515
3-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109040419
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
3-(5-chloro-2-methoxyanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 47824686
3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide
CID 120827355
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
2-[3-(5-chloro-2-methoxyanilino)propanoylamino]propanoic acid
CID 119225123
3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 51127338
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
ethyl 4-[3-(5-chloro-2-methoxyanilino)propanoyl]piperazine-1-carboxylate
CID 47824668
2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-2-methylpropanoic acid
CID 119187451

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide (CID 51097032) is 3-(5-chloro-2-methoxyanilino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide is COc1ccc(Cl)cc1NCCC(=O)NCc1cc(C)on1.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
The InChIKey is HBCYPSXHZFUPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-10-7-12(19-22-10)9-18-15(20)5-6-17-13-8-11(16)3-4-14(13)21-2/h3-4,7-8,17H,5-6,9H2,1-2H3,(H,18,20).
What are the key properties of 3-(5-chloro-2-methoxyanilino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
3-(5-chloro-2-methoxyanilino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide has a molecular weight of 323.78 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide is sourced from PubChem (CID 51097032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).