1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea

C10H18N4O2S — CID 88826570

IUPAC1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea
SMILESCCCNC(=O)NSCCNCc1ccon1
InChIInChI=1S/C10H18N4O2S/c1-2-4-12-10(15)14-17-7-5-11-8-9-3-6-16-13-9/h3,6,11H,2,4-5,7-8H2,1H3,(H2,12,14,15)
InChIKeyCNLGRLYXWJCVMJ-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.12
Rot. Bonds8

About 1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea

1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea (PubChem CID 88826570) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea
PubChem CID88826570
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea
SMILESCCCNC(=O)NSCCNCc1ccon1
InChIInChI=1S/C10H18N4O2S/c1-2-4-12-10(15)14-17-7-5-11-8-9-3-6-16-13-9/h3,6,11H,2,4-5,7-8H2,1H3,(H2,12,14,15)
InChIKeyCNLGRLYXWJCVMJ-UHFFFAOYSA-N
XLogP1.12
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2-oxazol-3-ylmethyl)-3-propylurea
CID 115672343
3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide
CID 81170893
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
2-methoxy-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 62544782
ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate
CID 79502591
N-methyl-2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylacetamide
CID 81176958
2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide
CID 81177144
2-amino-2-methyl-N-(1,2-oxazol-3-ylmethyl)pentanamide
CID 81171219
2-(methylamino)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171210
7-(1,2-oxazol-3-ylmethylcarbamoylamino)heptanoic acid
CID 81177356
ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate
CID 79493406
2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 106724059

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea?
The IUPAC name of 1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea (CID 88826570) is 1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea.
What is the SMILES notation for 1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea?
The canonical SMILES for 1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea is CCCNC(=O)NSCCNCc1ccon1.
What is the InChIKey of 1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea?
The InChIKey is CNLGRLYXWJCVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-2-4-12-10(15)14-17-7-5-11-8-9-3-6-16-13-9/h3,6,11H,2,4-5,7-8H2,1H3,(H2,12,14,15).
What are the key properties of 1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea?
1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea has a molecular weight of 258.35 g/mol, XLogP of 1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea is sourced from PubChem (CID 88826570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).