ethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate

C15H16N6O4 — CID 112525597

IUPACethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cn(CC(=O)Nc2ccc3oc(C)nc3c2)nn1
InChIInChI=1S/C15H16N6O4/c1-3-24-15(23)18-13-7-21(20-19-13)8-14(22)17-10-4-5-12-11(6-10)16-9(2)25-12/h4-7H,3,8H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyKORZQURGMHOOQC-UHFFFAOYSA-N
MW344.33 g/mol
LogP1.93
Rot. Bonds5

About ethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate

ethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate (PubChem CID 112525597) has the molecular formula C15H16N6O4 and a molecular weight of 344.33 g/mol. Its IUPAC name is ethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
PubChem CID112525597
Molecular FormulaC15H16N6O4
Molecular Weight344.33 g/mol
Exact Mass344.12
IUPAC Nameethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cn(CC(=O)Nc2ccc3oc(C)nc3c2)nn1
InChIInChI=1S/C15H16N6O4/c1-3-24-15(23)18-13-7-21(20-19-13)8-14(22)17-10-4-5-12-11(6-10)16-9(2)25-12/h4-7H,3,8H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyKORZQURGMHOOQC-UHFFFAOYSA-N
XLogP1.93
TPSA124.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[1-[2-[(2-methylpyrimidin-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112524242
ethyl N-[1-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]triazol-4-yl]carbamate
CID 112524316
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate
CID 47051874
ethyl N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525340
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 112525936
methyl N-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521611
2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
CID 112525667
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17472904
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604979
methyl N-[1-[2-(4-chloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521038

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate (CID 112525597) is ethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate is CCOC(=O)Nc1cn(CC(=O)Nc2ccc3oc(C)nc3c2)nn1.
What is the InChIKey of ethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate?
The InChIKey is KORZQURGMHOOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O4/c1-3-24-15(23)18-13-7-21(20-19-13)8-14(22)17-10-4-5-12-11(6-10)16-9(2)25-12/h4-7H,3,8H2,1-2H3,(H,17,22)(H,18,23).
What are the key properties of ethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate?
ethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate has a molecular weight of 344.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112525597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).