N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide

C17H17Cl2N3O4 — CID 155265150

IUPACN-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESC=C(CCNC(=O)c1cnc(C)o1)NC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O4/c1-10(5-6-20-17(24)15-8-21-11(2)26-15)22-16(23)9-25-12-3-4-13(18)14(19)7-12/h3-4,7-8H,1,5-6,9H2,2H3,(H,20,24)(H,22,23)
InChIKeyBAFJAXSQCOVBJX-UHFFFAOYSA-N
MW398.25 g/mol
LogP3.12
Rot. Bonds8

About N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide

N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide (PubChem CID 155265150) has the molecular formula C17H17Cl2N3O4 and a molecular weight of 398.25 g/mol. Its IUPAC name is N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide
PubChem CID155265150
Molecular FormulaC17H17Cl2N3O4
Molecular Weight398.25 g/mol
Exact Mass397.06
IUPAC NameN-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESC=C(CCNC(=O)c1cnc(C)o1)NC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O4/c1-10(5-6-20-17(24)15-8-21-11(2)26-15)22-16(23)9-25-12-3-4-13(18)14(19)7-12/h3-4,7-8H,1,5-6,9H2,2H3,(H,20,24)(H,22,23)
InChIKeyBAFJAXSQCOVBJX-UHFFFAOYSA-N
XLogP3.12
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-5-ethylpyridine-2-carboxamide
CID 155264541
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
CID 155264607
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 155265040
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide
CID 155264535
2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide
CID 138632668
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-4-methylpyridine-2-carboxamide
CID 170000150
5-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]pyridine-3-carboxamide
CID 155265207
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-6-methoxypyridine-3-carboxamide
CID 155264448
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide
CID 155264555
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2-(dimethylamino)benzamide
CID 155264645
4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide
CID 155264716
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-1,3-benzoxazole-2-carboxamide
CID 155264613

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide (CID 155265150) is N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide is C=C(CCNC(=O)c1cnc(C)o1)NC(=O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is BAFJAXSQCOVBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O4/c1-10(5-6-20-17(24)15-8-21-11(2)26-15)22-16(23)9-25-12-3-4-13(18)14(19)7-12/h3-4,7-8H,1,5-6,9H2,2H3,(H,20,24)(H,22,23).
What are the key properties of N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide?
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 398.25 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 155265150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).