[5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone

C21H18N4O2 — CID 146220500

IUPAC[5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone
SMILESCn1ncc2ccc(-c3cc(C(=O)N4CC(c5ccccc5)C4)no3)cc21
InChIInChI=1S/C21H18N4O2/c1-24-19-9-15(7-8-16(19)11-22-24)20-10-18(23-27-20)21(26)25-12-17(13-25)14-5-3-2-4-6-14/h2-11,17H,12-13H2,1H3
InChIKeySPKPKQBKAUHOKQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.47
Rot. Bonds3

About [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone

[5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone (PubChem CID 146220500) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone
PubChem CID146220500
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name[5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone
SMILESCn1ncc2ccc(-c3cc(C(=O)N4CC(c5ccccc5)C4)no3)cc21
InChIInChI=1S/C21H18N4O2/c1-24-19-9-15(7-8-16(19)11-22-24)20-10-18(23-27-20)21(26)25-12-17(13-25)14-5-3-2-4-6-14/h2-11,17H,12-13H2,1H3
InChIKeySPKPKQBKAUHOKQ-UHFFFAOYSA-N
XLogP3.47
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117359203
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 79410077
azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
CID 46087244
cyclopropyl-[3-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 127868766
4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 139003901
N-methyl-3-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide
CID 146230148
[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 92758389
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[5-(3-methylphenyl)-1,2-oxazol-3-yl]methanone
CID 92757207
(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731
(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 146230169
[(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
CID 92761255

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?
The IUPAC name of [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone (CID 146220500) is [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone.
What is the SMILES notation for [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?
The canonical SMILES for [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone is Cn1ncc2ccc(-c3cc(C(=O)N4CC(c5ccccc5)C4)no3)cc21.
What is the InChIKey of [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?
The InChIKey is SPKPKQBKAUHOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-24-19-9-15(7-8-16(19)11-22-24)20-10-18(23-27-20)21(26)25-12-17(13-25)14-5-3-2-4-6-14/h2-11,17H,12-13H2,1H3.
What are the key properties of [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?
[5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone has a molecular weight of 358.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone is sourced from PubChem (CID 146220500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).