1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea

C13H13N3O3 — CID 99700914

IUPAC1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea
SMILESO=C(Nc1ncco1)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C13H13N3O3/c17-10-7-8-3-1-2-4-9(8)11(10)15-12(18)16-13-14-5-6-19-13/h1-6,10-11,17H,7H2,(H2,14,15,16,18)/t10-,11+/m1/s1
InChIKeyOTGYZNJBNKAYJA-MNOVXSKESA-N
MW259.26 g/mol
LogP1.45
Rot. Bonds2

About 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea

1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea (PubChem CID 99700914) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea
PubChem CID99700914
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea
SMILESO=C(Nc1ncco1)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C13H13N3O3/c17-10-7-8-3-1-2-4-9(8)11(10)15-12(18)16-13-14-5-6-19-13/h1-6,10-11,17H,7H2,(H2,14,15,16,18)/t10-,11+/m1/s1
InChIKeyOTGYZNJBNKAYJA-MNOVXSKESA-N
XLogP1.45
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea?
The IUPAC name of 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea (CID 99700914) is 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea.
What is the SMILES notation for 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea?
The canonical SMILES for 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea is O=C(Nc1ncco1)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea?
The InChIKey is OTGYZNJBNKAYJA-MNOVXSKESA-N. The full InChI is InChI=1S/C13H13N3O3/c17-10-7-8-3-1-2-4-9(8)11(10)15-12(18)16-13-14-5-6-19-13/h1-6,10-11,17H,7H2,(H2,14,15,16,18)/t10-,11+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea?
1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea has a molecular weight of 259.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea is sourced from PubChem (CID 99700914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).