1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea

C17H21N3O3 — CID 111383063

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea
SMILESCc1nc(NC(=O)N(CCO)C2CCc3ccccc32)oc1C
InChIInChI=1S/C17H21N3O3/c1-11-12(2)23-16(18-11)19-17(22)20(9-10-21)15-8-7-13-5-3-4-6-14(13)15/h3-6,15,21H,7-10H2,1-2H3,(H,18,19,22)
InChIKeyLADAKDHUWFSDOI-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.81
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea

1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea (PubChem CID 111383063) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea
PubChem CID111383063
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea
SMILESCc1nc(NC(=O)N(CCO)C2CCc3ccccc32)oc1C
InChIInChI=1S/C17H21N3O3/c1-11-12(2)23-16(18-11)19-17(22)20(9-10-21)15-8-7-13-5-3-4-6-14(13)15/h3-6,15,21H,7-10H2,1-2H3,(H,18,19,22)
InChIKeyLADAKDHUWFSDOI-UHFFFAOYSA-N
XLogP2.81
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea (CID 111383063) is 1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea is Cc1nc(NC(=O)N(CCO)C2CCc3ccccc32)oc1C.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea?
The InChIKey is LADAKDHUWFSDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-12(2)23-16(18-11)19-17(22)20(9-10-21)15-8-7-13-5-3-4-6-14(13)15/h3-6,15,21H,7-10H2,1-2H3,(H,18,19,22).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea?
1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea has a molecular weight of 315.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111383063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).