ethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate

C13H15N3O3 — CID 112990393

IUPACethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2cc(C)on2)cc1
InChIInChI=1S/C13H15N3O3/c1-3-18-13(17)15-11-6-4-10(5-7-11)14-12-8-9(2)19-16-12/h4-8H,3H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyGSUYWMNLASWXGA-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.30
Rot. Bonds4

About ethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate

ethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate (PubChem CID 112990393) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate
PubChem CID112990393
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2cc(C)on2)cc1
InChIInChI=1S/C13H15N3O3/c1-3-18-13(17)15-11-6-4-10(5-7-11)14-12-8-9(2)19-16-12/h4-8H,3H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyGSUYWMNLASWXGA-UHFFFAOYSA-N
XLogP3.30
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990326
2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990366
5-methyl-N-(4-methylphenyl)-1,2-oxazol-3-amine
CID 122548872
2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]benzamide
CID 112990340
ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carbonyl]amino]benzoate
CID 109270516
ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate
CID 108812202
ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109178880
ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate
CID 109130228
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide
CID 112990399
ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109200797
ethyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151140

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate (CID 112990393) is ethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate is CCOC(=O)Nc1ccc(Nc2cc(C)on2)cc1.
What is the InChIKey of ethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate?
The InChIKey is GSUYWMNLASWXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-18-13(17)15-11-6-4-10(5-7-11)14-12-8-9(2)19-16-12/h4-8H,3H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of ethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate?
ethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate has a molecular weight of 261.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate is sourced from PubChem (CID 112990393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).