[5-(4-aminophenyl)-1,2-oxazol-3-yl] N,N-diethylcarbamate

C14H17N3O3 — CID 67106921

IUPAC[5-(4-aminophenyl)-1,2-oxazol-3-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(-c2ccc(N)cc2)on1
InChIInChI=1S/C14H17N3O3/c1-3-17(4-2)14(18)19-13-9-12(20-16-13)10-5-7-11(15)8-6-10/h5-9H,3-4,15H2,1-2H3
InChIKeyVGXOKHOTUKPSAI-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.76
Rot. Bonds4

About [5-(4-aminophenyl)-1,2-oxazol-3-yl] N,N-diethylcarbamate

[5-(4-aminophenyl)-1,2-oxazol-3-yl] N,N-diethylcarbamate (PubChem CID 67106921) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is [5-(4-aminophenyl)-1,2-oxazol-3-yl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[5-(4-aminophenyl)-1,2-oxazol-3-yl] N,N-diethylcarbamate
PubChem CID67106921
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name[5-(4-aminophenyl)-1,2-oxazol-3-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(-c2ccc(N)cc2)on1
InChIInChI=1S/C14H17N3O3/c1-3-17(4-2)14(18)19-13-9-12(20-16-13)10-5-7-11(15)8-6-10/h5-9H,3-4,15H2,1-2H3
InChIKeyVGXOKHOTUKPSAI-UHFFFAOYSA-N
XLogP2.76
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 57317114
5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine
CID 117334620
N-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 109468168
(5-thiophen-3-yl-1,2-oxazol-3-yl) acetate
CID 174599806
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
[4-(3-amino-1,2-oxazol-5-yl)phenyl] carbamate
CID 175331108
N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66157522
ethyl 2-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate
CID 61011978
ethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate
CID 141266104
methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
CID 86222844
[5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
CID 19871333
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572

Frequently Asked Questions

What is the IUPAC name of [5-(4-aminophenyl)-1,2-oxazol-3-yl] N,N-diethylcarbamate?
The IUPAC name of [5-(4-aminophenyl)-1,2-oxazol-3-yl] N,N-diethylcarbamate (CID 67106921) is [5-(4-aminophenyl)-1,2-oxazol-3-yl] N,N-diethylcarbamate.
What is the SMILES notation for [5-(4-aminophenyl)-1,2-oxazol-3-yl] N,N-diethylcarbamate?
The canonical SMILES for [5-(4-aminophenyl)-1,2-oxazol-3-yl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cc(-c2ccc(N)cc2)on1.
What is the InChIKey of [5-(4-aminophenyl)-1,2-oxazol-3-yl] N,N-diethylcarbamate?
The InChIKey is VGXOKHOTUKPSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-17(4-2)14(18)19-13-9-12(20-16-13)10-5-7-11(15)8-6-10/h5-9H,3-4,15H2,1-2H3.
What are the key properties of [5-(4-aminophenyl)-1,2-oxazol-3-yl] N,N-diethylcarbamate?
[5-(4-aminophenyl)-1,2-oxazol-3-yl] N,N-diethylcarbamate has a molecular weight of 275.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-aminophenyl)-1,2-oxazol-3-yl] N,N-diethylcarbamate is sourced from PubChem (CID 67106921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).