1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea

C12H16N4O3S — CID 111443995

IUPAC1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCc1noc(CNC(=O)NCC(C)(O)c2cccs2)n1
InChIInChI=1S/C12H16N4O3S/c1-8-15-10(19-16-8)6-13-11(17)14-7-12(2,18)9-4-3-5-20-9/h3-5,18H,6-7H2,1-2H3,(H2,13,14,17)
InChIKeyVDSASFRDQLMEMR-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.15
Rot. Bonds5

About 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea

1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 111443995) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
PubChem CID111443995
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCc1noc(CNC(=O)NCC(C)(O)c2cccs2)n1
InChIInChI=1S/C12H16N4O3S/c1-8-15-10(19-16-8)6-13-11(17)14-7-12(2,18)9-4-3-5-20-9/h3-5,18H,6-7H2,1-2H3,(H2,13,14,17)
InChIKeyVDSASFRDQLMEMR-UHFFFAOYSA-N
XLogP1.15
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea with MolForge

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Related Compounds

1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111440845
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111582473
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 111440752
1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111440852
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 97317712
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399204
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea
CID 111442867
N-(2-hydroxy-2-thiophen-2-ylpropyl)isoquinoline-1-carboxamide
CID 111441944
1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111444243

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 111443995) is 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea is Cc1noc(CNC(=O)NCC(C)(O)c2cccs2)n1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The InChIKey is VDSASFRDQLMEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-8-15-10(19-16-8)6-13-11(17)14-7-12(2,18)9-4-3-5-20-9/h3-5,18H,6-7H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 296.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 111443995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).