1-[(2S)-3-methylbutan-2-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea

C10H18N4O2 — CID 95168182

IUPAC1-[(2S)-3-methylbutan-2-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCc1noc(CNC(=O)N[C@@H](C)C(C)C)n1
InChIInChI=1S/C10H18N4O2/c1-6(2)7(3)12-10(15)11-5-9-13-8(4)14-16-9/h6-7H,5H2,1-4H3,(H2,11,12,15)/t7-/m0/s1
InChIKeyAOUYULGQKPWQAQ-ZETCQYMHSA-N
MW226.28 g/mol
LogP1.22
Rot. Bonds4

About 1-[(2S)-3-methylbutan-2-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea

1-[(2S)-3-methylbutan-2-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 95168182) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[(2S)-3-methylbutan-2-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2S)-3-methylbutan-2-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
PubChem CID95168182
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name1-[(2S)-3-methylbutan-2-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCc1noc(CNC(=O)N[C@@H](C)C(C)C)n1
InChIInChI=1S/C10H18N4O2/c1-6(2)7(3)12-10(15)11-5-9-13-8(4)14-16-9/h6-7H,5H2,1-4H3,(H2,11,12,15)/t7-/m0/s1
InChIKeyAOUYULGQKPWQAQ-ZETCQYMHSA-N
XLogP1.22
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-methylbutan-2-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The IUPAC name of 1-[(2S)-3-methylbutan-2-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 95168182) is 1-[(2S)-3-methylbutan-2-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[(2S)-3-methylbutan-2-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[(2S)-3-methylbutan-2-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea is Cc1noc(CNC(=O)N[C@@H](C)C(C)C)n1.
What is the InChIKey of 1-[(2S)-3-methylbutan-2-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The InChIKey is AOUYULGQKPWQAQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6(2)7(3)12-10(15)11-5-9-13-8(4)14-16-9/h6-7H,5H2,1-4H3,(H2,11,12,15)/t7-/m0/s1.
What are the key properties of 1-[(2S)-3-methylbutan-2-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
1-[(2S)-3-methylbutan-2-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 226.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-methylbutan-2-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 95168182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).