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

C18H23N3O3 — CID 111383091

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(3-hydroxypropyl)urea
SMILESCc1nc(NC(=O)N(CCCO)C2CCc3ccccc32)oc1C
InChIInChI=1S/C18H23N3O3/c1-12-13(2)24-17(19-12)20-18(23)21(10-5-11-22)16-9-8-14-6-3-4-7-15(14)16/h3-4,6-7,16,22H,5,8-11H2,1-2H3,(H,19,20,23)
InChIKeyVTCYPGFUCJMWON-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.20
Rot. Bonds5

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

1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(3-hydroxypropyl)urea (PubChem CID 111383091) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(3-hydroxypropyl)urea
PubChem CID111383091
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(3-hydroxypropyl)urea
SMILESCc1nc(NC(=O)N(CCCO)C2CCc3ccccc32)oc1C
InChIInChI=1S/C18H23N3O3/c1-12-13(2)24-17(19-12)20-18(23)21(10-5-11-22)16-9-8-14-6-3-4-7-15(14)16/h3-4,6-7,16,22H,5,8-11H2,1-2H3,(H,19,20,23)
InChIKeyVTCYPGFUCJMWON-UHFFFAOYSA-N
XLogP3.20
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.20
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-(3-hydroxypropyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(3-hydroxypropyl)urea (CID 111383091) is 1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(3-hydroxypropyl)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-(3-hydroxypropyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(3-hydroxypropyl)urea is Cc1nc(NC(=O)N(CCCO)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-(3-hydroxypropyl)urea?
The InChIKey is VTCYPGFUCJMWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-13(2)24-17(19-12)20-18(23)21(10-5-11-22)16-9-8-14-6-3-4-7-15(14)16/h3-4,6-7,16,22H,5,8-11H2,1-2H3,(H,19,20,23).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(3-hydroxypropyl)urea?
1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(3-hydroxypropyl)urea has a molecular weight of 329.40 g/mol, XLogP of 3.20, 5 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-(3-hydroxypropyl)urea is sourced from PubChem (CID 111383091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).