[3-(propylcarbamoylamino)phenyl] 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate

C19H19N3O4S — CID 167918274

IUPAC[3-(propylcarbamoylamino)phenyl] 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
SMILESCCCNC(=O)Nc1cccc(OC(=O)Cc2coc(-c3cccs3)n2)c1
InChIInChI=1S/C19H19N3O4S/c1-2-8-20-19(24)22-13-5-3-6-15(10-13)26-17(23)11-14-12-25-18(21-14)16-7-4-9-27-16/h3-7,9-10,12H,2,8,11H2,1H3,(H2,20,22,24)
InChIKeyHLDKCKGVWZEGON-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.08
Rot. Bonds7

About [3-(propylcarbamoylamino)phenyl] 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate

[3-(propylcarbamoylamino)phenyl] 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate (PubChem CID 167918274) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is [3-(propylcarbamoylamino)phenyl] 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Name[3-(propylcarbamoylamino)phenyl] 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
PubChem CID167918274
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name[3-(propylcarbamoylamino)phenyl] 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
SMILESCCCNC(=O)Nc1cccc(OC(=O)Cc2coc(-c3cccs3)n2)c1
InChIInChI=1S/C19H19N3O4S/c1-2-8-20-19(24)22-13-5-3-6-15(10-13)26-17(23)11-14-12-25-18(21-14)16-7-4-9-27-16/h3-7,9-10,12H,2,8,11H2,1H3,(H2,20,22,24)
InChIKeyHLDKCKGVWZEGON-UHFFFAOYSA-N
XLogP4.08
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
CID 56528840
N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111463482
methyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate
CID 86994732
(2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119244415
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid
CID 43214269
2-[(3-methylphenyl)methyl]-3-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119243233
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
[3-(2-acetamidoethylcarbamoylamino)phenyl] acetate
CID 108865308
2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid
CID 119199569
1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea
CID 91641569
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
2-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 60671128

Frequently Asked Questions

What is the IUPAC name of [3-(propylcarbamoylamino)phenyl] 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The IUPAC name of [3-(propylcarbamoylamino)phenyl] 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate (CID 167918274) is [3-(propylcarbamoylamino)phenyl] 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for [3-(propylcarbamoylamino)phenyl] 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for [3-(propylcarbamoylamino)phenyl] 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate is CCCNC(=O)Nc1cccc(OC(=O)Cc2coc(-c3cccs3)n2)c1.
What is the InChIKey of [3-(propylcarbamoylamino)phenyl] 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The InChIKey is HLDKCKGVWZEGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-2-8-20-19(24)22-13-5-3-6-15(10-13)26-17(23)11-14-12-25-18(21-14)16-7-4-9-27-16/h3-7,9-10,12H,2,8,11H2,1H3,(H2,20,22,24).
What are the key properties of [3-(propylcarbamoylamino)phenyl] 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
[3-(propylcarbamoylamino)phenyl] 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate has a molecular weight of 385.45 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(propylcarbamoylamino)phenyl] 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 167918274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).