1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea

C15H19N3O2S — CID 122159499

IUPAC1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea
SMILESCCSCCCNC(=O)Nc1cccc(-c2ncco2)c1
InChIInChI=1S/C15H19N3O2S/c1-2-21-10-4-7-17-15(19)18-13-6-3-5-12(11-13)14-16-8-9-20-14/h3,5-6,8-9,11H,2,4,7,10H2,1H3,(H2,17,18,19)
InChIKeyHCAKFWRYUVPCNP-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.61
Rot. Bonds7

About 1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea

1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea (PubChem CID 122159499) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea
PubChem CID122159499
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea
SMILESCCSCCCNC(=O)Nc1cccc(-c2ncco2)c1
InChIInChI=1S/C15H19N3O2S/c1-2-21-10-4-7-17-15(19)18-13-6-3-5-12(11-13)14-16-8-9-20-14/h3,5-6,8-9,11H,2,4,7,10H2,1H3,(H2,17,18,19)
InChIKeyHCAKFWRYUVPCNP-UHFFFAOYSA-N
XLogP3.61
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide
CID 75388652
N'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide
CID 97326645
3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 87002332
N-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide
CID 75388529
1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
CID 72889458
(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
CID 97098726
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea
CID 126787318
1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 53005885
1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea
CID 110748430
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-hexylurea
CID 135329820
1-[(1S)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea
CID 97086301
1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 47033564

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea?
The IUPAC name of 1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea (CID 122159499) is 1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea is CCSCCCNC(=O)Nc1cccc(-c2ncco2)c1.
What is the InChIKey of 1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea?
The InChIKey is HCAKFWRYUVPCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-21-10-4-7-17-15(19)18-13-6-3-5-12(11-13)14-16-8-9-20-14/h3,5-6,8-9,11H,2,4,7,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea?
1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea has a molecular weight of 305.40 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea is sourced from PubChem (CID 122159499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).