1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(2-chlorophenyl)carbamate

C14H13ClN4O3 — CID 53325597

IUPAC1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(2-chlorophenyl)carbamate
SMILESCc1c(C(C)OC(=O)Nc2ccccc2Cl)oc2ncnn12
InChIInChI=1S/C14H13ClN4O3/c1-8-12(22-13-16-7-17-19(8)13)9(2)21-14(20)18-11-6-4-3-5-10(11)15/h3-7,9H,1-2H3,(H,18,20)
InChIKeyODJNQISLLXNXAN-UHFFFAOYSA-N
MW320.74 g/mol
LogP3.59
Rot. Bonds3

About 1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(2-chlorophenyl)carbamate

1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(2-chlorophenyl)carbamate (PubChem CID 53325597) has the molecular formula C14H13ClN4O3 and a molecular weight of 320.74 g/mol. Its IUPAC name is 1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(2-chlorophenyl)carbamate.

Molecular Properties

Compound Name1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(2-chlorophenyl)carbamate
PubChem CID53325597
Molecular FormulaC14H13ClN4O3
Molecular Weight320.74 g/mol
Exact Mass320.07
IUPAC Name1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(2-chlorophenyl)carbamate
SMILESCc1c(C(C)OC(=O)Nc2ccccc2Cl)oc2ncnn12
InChIInChI=1S/C14H13ClN4O3/c1-8-12(22-13-16-7-17-19(8)13)9(2)21-14(20)18-11-6-4-3-5-10(11)15/h3-7,9H,1-2H3,(H,18,20)
InChIKeyODJNQISLLXNXAN-UHFFFAOYSA-N
XLogP3.59
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenylethyl N-(2-chlorophenyl)carbamate
CID 174361176
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CID 1489964
1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(3-methylphenyl)carbamate
CID 3569181
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[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-chloropyridine-4-carboxylate
CID 23887938
[1-(2-chloroanilino)-1-oxopropan-2-yl] 6-methylpyridine-3-carboxylate
CID 18149708
N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4140143
N-(2-chlorophenyl)-4-methylpyridine-2-carboxamide
CID 110858745
N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 46339700
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 8739005

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(2-chlorophenyl)carbamate?
The IUPAC name of 1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(2-chlorophenyl)carbamate (CID 53325597) is 1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(2-chlorophenyl)carbamate.
What is the SMILES notation for 1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(2-chlorophenyl)carbamate?
The canonical SMILES for 1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(2-chlorophenyl)carbamate is Cc1c(C(C)OC(=O)Nc2ccccc2Cl)oc2ncnn12.
What is the InChIKey of 1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(2-chlorophenyl)carbamate?
The InChIKey is ODJNQISLLXNXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3/c1-8-12(22-13-16-7-17-19(8)13)9(2)21-14(20)18-11-6-4-3-5-10(11)15/h3-7,9H,1-2H3,(H,18,20).
What are the key properties of 1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(2-chlorophenyl)carbamate?
1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(2-chlorophenyl)carbamate has a molecular weight of 320.74 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(2-chlorophenyl)carbamate is sourced from PubChem (CID 53325597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).