1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C15H17N3O3 — CID 48806902

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCc1nc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)oc1C
InChIInChI=1S/C15H17N3O3/c1-8-9(2)21-15(16-8)18-14(20)17-13-11-6-4-3-5-10(11)7-12(13)19/h3-6,12-13,19H,7H2,1-2H3,(H2,16,17,18,20)/t12-,13+/m0/s1
InChIKeySDBYFYLSTZEHBL-QWHCGFSZSA-N
MW287.32 g/mol
LogP2.07
Rot. Bonds2

About 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 48806902) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID48806902
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCc1nc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)oc1C
InChIInChI=1S/C15H17N3O3/c1-8-9(2)21-15(16-8)18-14(20)17-13-11-6-4-3-5-10(11)7-12(13)19/h3-6,12-13,19H,7H2,1-2H3,(H2,16,17,18,20)/t12-,13+/m0/s1
InChIKeySDBYFYLSTZEHBL-QWHCGFSZSA-N
XLogP2.07
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 48806902) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is Cc1nc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)oc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is SDBYFYLSTZEHBL-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8-9(2)21-15(16-8)18-14(20)17-13-11-6-4-3-5-10(11)7-12(13)19/h3-6,12-13,19H,7H2,1-2H3,(H2,16,17,18,20)/t12-,13+/m0/s1.
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 287.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 48806902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).