1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone

C21H18N4O3 — CID 56941774

IUPAC1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCc2nc(COc3ccccc3)oc2C1
InChIInChI=1S/C21H18N4O3/c26-21(20-15-8-4-5-9-16(15)23-24-20)25-11-10-17-18(12-25)28-19(22-17)13-27-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24)
InChIKeyMFGMPCAQSBOEJR-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.33
Rot. Bonds4

About 1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone

1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 56941774) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID56941774
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCc2nc(COc3ccccc3)oc2C1
InChIInChI=1S/C21H18N4O3/c26-21(20-15-8-4-5-9-16(15)23-24-20)25-11-10-17-18(12-25)28-19(22-17)13-27-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24)
InChIKeyMFGMPCAQSBOEJR-UHFFFAOYSA-N
XLogP3.33
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone (CID 56941774) is 1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone is O=C(c1n[nH]c2ccccc12)N1CCc2nc(COc3ccccc3)oc2C1.
What is the InChIKey of 1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is MFGMPCAQSBOEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-21(20-15-8-4-5-9-16(15)23-24-20)25-11-10-17-18(12-25)28-19(22-17)13-27-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24).
What are the key properties of 1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone has a molecular weight of 374.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 56941774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).