[2-(1-benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol

C18H17N3O2 — CID 57391889

IUPAC[2-(1-benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol
SMILESOCC1CN=C(c2nn(Cc3ccccc3)c3ccccc23)O1
InChIInChI=1S/C18H17N3O2/c22-12-14-10-19-18(23-14)17-15-8-4-5-9-16(15)21(20-17)11-13-6-2-1-3-7-13/h1-9,14,22H,10-12H2
InChIKeyMZNREPZNJPXESJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.22
Rot. Bonds4

About [2-(1-benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol

[2-(1-benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol (PubChem CID 57391889) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is [2-(1-benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1-benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol
PubChem CID57391889
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name[2-(1-benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol
SMILESOCC1CN=C(c2nn(Cc3ccccc3)c3ccccc23)O1
InChIInChI=1S/C18H17N3O2/c22-12-14-10-19-18(23-14)17-15-8-4-5-9-16(15)21(20-17)11-13-6-2-1-3-7-13/h1-9,14,22H,10-12H2
InChIKeyMZNREPZNJPXESJ-UHFFFAOYSA-N
XLogP2.22
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1-benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol?
The IUPAC name of [2-(1-benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol (CID 57391889) is [2-(1-benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol.
What is the SMILES notation for [2-(1-benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol?
The canonical SMILES for [2-(1-benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol is OCC1CN=C(c2nn(Cc3ccccc3)c3ccccc23)O1.
What is the InChIKey of [2-(1-benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol?
The InChIKey is MZNREPZNJPXESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-12-14-10-19-18(23-14)17-15-8-4-5-9-16(15)21(20-17)11-13-6-2-1-3-7-13/h1-9,14,22H,10-12H2.
What are the key properties of [2-(1-benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol?
[2-(1-benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol has a molecular weight of 307.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 57391889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).