N-[2-(5-amino-1,2-oxazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide

C11H10ClN3O3 — CID 117422595

IUPACN-[2-(5-amino-1,2-oxazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1c(O)ccc(Cl)c1-c1cnoc1N
InChIInChI=1S/C11H10ClN3O3/c1-5(16)15-10-8(17)3-2-7(12)9(10)6-4-14-18-11(6)13/h2-4,17H,13H2,1H3,(H,15,16)
InChIKeyZHRIQYHANGSIDO-UHFFFAOYSA-N
MW267.67 g/mol
LogP2.24
Rot. Bonds2

About N-[2-(5-amino-1,2-oxazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide

N-[2-(5-amino-1,2-oxazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide (PubChem CID 117422595) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is N-[2-(5-amino-1,2-oxazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,2-oxazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide
PubChem CID117422595
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC NameN-[2-(5-amino-1,2-oxazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1c(O)ccc(Cl)c1-c1cnoc1N
InChIInChI=1S/C11H10ClN3O3/c1-5(16)15-10-8(17)3-2-7(12)9(10)6-4-14-18-11(6)13/h2-4,17H,13H2,1H3,(H,15,16)
InChIKeyZHRIQYHANGSIDO-UHFFFAOYSA-N
XLogP2.24
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide
CID 117450727
3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol
CID 117353908
4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117434464
4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol
CID 117329312
4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117349779
methyl 2-(2-acetamido-6-chloro-3-hydroxyphenyl)-2-hydroxyacetate
CID 117436897
N-[2-(3-aminopropyl)-3-chloro-6-hydroxyphenyl]acetamide
CID 117358835
2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol
CID 117292479
N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide
CID 117389843
(2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride
CID 117479727
4-(3-chloro-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117353932
2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol
CID 117390307

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,2-oxazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide?
The IUPAC name of N-[2-(5-amino-1,2-oxazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide (CID 117422595) is N-[2-(5-amino-1,2-oxazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[2-(5-amino-1,2-oxazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide?
The canonical SMILES for N-[2-(5-amino-1,2-oxazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide is CC(=O)Nc1c(O)ccc(Cl)c1-c1cnoc1N.
What is the InChIKey of N-[2-(5-amino-1,2-oxazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide?
The InChIKey is ZHRIQYHANGSIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c1-5(16)15-10-8(17)3-2-7(12)9(10)6-4-14-18-11(6)13/h2-4,17H,13H2,1H3,(H,15,16).
What are the key properties of N-[2-(5-amino-1,2-oxazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide?
N-[2-(5-amino-1,2-oxazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide has a molecular weight of 267.67 g/mol, XLogP of 2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,2-oxazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide is sourced from PubChem (CID 117422595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).