5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole

C17H18N4O2 — CID 56781184

IUPAC5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2cnc(CN3CC(n4cccn4)C3)o2)cc1
InChIInChI=1S/C17H18N4O2/c1-22-15-5-3-13(4-6-15)16-9-18-17(23-16)12-20-10-14(11-20)21-8-2-7-19-21/h2-9,14H,10-12H2,1H3
InChIKeyAGIYEWYEHHYJFJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.60
Rot. Bonds5

About 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole

5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole (PubChem CID 56781184) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
PubChem CID56781184
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2cnc(CN3CC(n4cccn4)C3)o2)cc1
InChIInChI=1S/C17H18N4O2/c1-22-15-5-3-13(4-6-15)16-9-18-17(23-16)12-20-10-14(11-20)21-8-2-7-19-21/h2-9,14H,10-12H2,1H3
InChIKeyAGIYEWYEHHYJFJ-UHFFFAOYSA-N
XLogP2.60
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111123250
1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole
CID 56781209
5-(4-methoxyphenyl)-2-[[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 166197592
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol
CID 48631711
5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
CID 126900314
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 48632204
2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 71877632
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 48631704
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907230
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 71885006
N-cyclopropyl-2-[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 48631825

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole (CID 56781184) is 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole is COc1ccc(-c2cnc(CN3CC(n4cccn4)C3)o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is AGIYEWYEHHYJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-22-15-5-3-13(4-6-15)16-9-18-17(23-16)12-20-10-14(11-20)21-8-2-7-19-21/h2-9,14H,10-12H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole?
5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 310.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56781184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).