1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea

C11H19N3O3 — CID 95629512

IUPAC1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)N[C@H](CO)CC(C)C)on1
InChIInChI=1S/C11H19N3O3/c1-7(2)4-9(6-15)12-11(16)13-10-5-8(3)14-17-10/h5,7,9,15H,4,6H2,1-3H3,(H2,12,13,16)/t9-/m0/s1
InChIKeyFGOMYASRLSLWQD-VIFPVBQESA-N
MW241.29 g/mol
LogP1.51
Rot. Bonds5

About 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea

1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea (PubChem CID 95629512) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea
PubChem CID95629512
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)N[C@H](CO)CC(C)C)on1
InChIInChI=1S/C11H19N3O3/c1-7(2)4-9(6-15)12-11(16)13-10-5-8(3)14-17-10/h5,7,9,15H,4,6H2,1-3H3,(H2,12,13,16)/t9-/m0/s1
InChIKeyFGOMYASRLSLWQD-VIFPVBQESA-N
XLogP1.51
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The IUPAC name of 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea (CID 95629512) is 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea is Cc1cc(NC(=O)N[C@H](CO)CC(C)C)on1.
What is the InChIKey of 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The InChIKey is FGOMYASRLSLWQD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7(2)4-9(6-15)12-11(16)13-10-5-8(3)14-17-10/h5,7,9,15H,4,6H2,1-3H3,(H2,12,13,16)/t9-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea has a molecular weight of 241.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea is sourced from PubChem (CID 95629512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).