3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea

C15H25N3O2S — CID 97059182

IUPAC3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea
SMILESCCS[C@H]1CC[C@@H](N(C)C(=O)NCc2cc(CC)no2)C1
InChIInChI=1S/C15H25N3O2S/c1-4-11-8-13(20-17-11)10-16-15(19)18(3)12-6-7-14(9-12)21-5-2/h8,12,14H,4-7,9-10H2,1-3H3,(H,16,19)/t12-,14+/m1/s1
InChIKeyVGAOJSPCBHDZET-OCCSQVGLSA-N
MW311.45 g/mol
LogP3.05
Rot. Bonds6

About 3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea

3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea (PubChem CID 97059182) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea.

Molecular Properties

Compound Name3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea
PubChem CID97059182
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea
SMILESCCS[C@H]1CC[C@@H](N(C)C(=O)NCc2cc(CC)no2)C1
InChIInChI=1S/C15H25N3O2S/c1-4-11-8-13(20-17-11)10-16-15(19)18(3)12-6-7-14(9-12)21-5-2/h8,12,14H,4-7,9-10H2,1-3H3,(H,16,19)/t12-,14+/m1/s1
InChIKeyVGAOJSPCBHDZET-OCCSQVGLSA-N
XLogP3.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea with MolForge

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Related Compounds

3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 71920743
1-(3-ethylsulfanylcyclopentyl)-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75379207
1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 97223816
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea
CID 97223648
1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 97058827
3-(2-cyclopropylpyrimidin-5-yl)-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea
CID 97224053
3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 75379365
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine
CID 120752356
2-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 119817004
(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride
CID 119342646
4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid
CID 119187147
N-(3-ethylsulfanylcyclopentyl)-N,6-dimethylpyridine-3-carboxamide
CID 71993569

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea?
The IUPAC name of 3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea (CID 97059182) is 3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea.
What is the SMILES notation for 3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea?
The canonical SMILES for 3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea is CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2cc(CC)no2)C1.
What is the InChIKey of 3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea?
The InChIKey is VGAOJSPCBHDZET-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-11-8-13(20-17-11)10-16-15(19)18(3)12-6-7-14(9-12)21-5-2/h8,12,14H,4-7,9-10H2,1-3H3,(H,16,19)/t12-,14+/m1/s1.
What are the key properties of 3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea?
3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea has a molecular weight of 311.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea is sourced from PubChem (CID 97059182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).