1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1,3-oxazol-2-yl)urea

C13H13N3O3 — CID 91650593

IUPAC1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1,3-oxazol-2-yl)urea
SMILESO=C(Nc1ncco1)NC1c2ccccc2CC1O
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)
InChIKeyOTGYZNJBNKAYJA-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.45
Rot. Bonds2

About 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1,3-oxazol-2-yl)urea

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1,3-oxazol-2-yl)urea (PubChem CID 91650593) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1,3-oxazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1,3-oxazol-2-yl)urea
PubChem CID91650593
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1,3-oxazol-2-yl)urea
SMILESO=C(Nc1ncco1)NC1c2ccccc2CC1O
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)
InChIKeyOTGYZNJBNKAYJA-UHFFFAOYSA-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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Related Compounds

1-[1-(4-Fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea
CID 86817879
1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea
CID 99712569
1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea
CID 99712571
1-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea
CID 99712573
1-[(1S,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea
CID 99712575
N-(2,3-dihydro-1H-inden-2-yl)-1,3-oxazol-2-amine
CID 167377224
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 48806902
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1,3-oxazol-2-yl)urea
CID 91650590
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea
CID 99700815
1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea
CID 99700914
1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea
CID 99710630
1-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,3-oxazol-2-yl)urea
CID 99710632

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1,3-oxazol-2-yl)urea?
The IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1,3-oxazol-2-yl)urea (CID 91650593) is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1,3-oxazol-2-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1,3-oxazol-2-yl)urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1,3-oxazol-2-yl)urea is O=C(Nc1ncco1)NC1c2ccccc2CC1O.
What is the InChIKey of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1,3-oxazol-2-yl)urea?
The InChIKey is OTGYZNJBNKAYJA-UHFFFAOYSA-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).
What are the key properties of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1,3-oxazol-2-yl)urea?
1-(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-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1,3-oxazol-2-yl)urea is sourced from PubChem (CID 91650593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).