6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one

C16H15N5O3 — CID 53139359

IUPAC6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2cc(-c3noc(-c4ccnn4C)n3)ccc21
InChIInChI=1S/C16H15N5O3/c1-9(2)21-11-5-4-10(8-13(11)23-16(21)22)14-18-15(24-19-14)12-6-7-17-20(12)3/h4-9H,1-3H3
InChIKeyFFCDMVPUBRCHIT-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.63
Rot. Bonds3

About 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one

6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one (PubChem CID 53139359) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
PubChem CID53139359
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2cc(-c3noc(-c4ccnn4C)n3)ccc21
InChIInChI=1S/C16H15N5O3/c1-9(2)21-11-5-4-10(8-13(11)23-16(21)22)14-18-15(24-19-14)12-6-7-17-20(12)3/h4-9H,1-3H3
InChIKeyFFCDMVPUBRCHIT-UHFFFAOYSA-N
XLogP2.63
TPSA91.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53005998
3-propan-2-yl-6-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazol-2-one
CID 53139360
4-(2-methylpropyl)-7-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-1H-quinoxaline-2,3-dione
CID 53005973
6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
CID 71842815
4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 62920467
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 62920980
1-cyclopentyl-3-methyl-6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 53065362
6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one
CID 53139211
6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
CID 53139363
6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one
CID 89210533
5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 117401361
1-propan-2-yl-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 122697151

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one (CID 53139359) is 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one is CC(C)n1c(=O)oc2cc(-c3noc(-c4ccnn4C)n3)ccc21.
What is the InChIKey of 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The InChIKey is FFCDMVPUBRCHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-9(2)21-11-5-4-10(8-13(11)23-16(21)22)14-18-15(24-19-14)12-6-7-17-20(12)3/h4-9H,1-3H3.
What are the key properties of 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one has a molecular weight of 325.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 53139359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).