(5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate

C12H15N3O3 — CID 55562184

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCc2cc(C)on2)n[nH]1
InChIInChI=1S/C12H15N3O3/c1-3-4-9-6-11(14-13-9)12(16)17-7-10-5-8(2)18-15-10/h5-6H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyWXSXBQAEWXHJIO-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.02
Rot. Bonds5

About (5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate

(5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate (PubChem CID 55562184) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
PubChem CID55562184
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCc2cc(C)on2)n[nH]1
InChIInChI=1S/C12H15N3O3/c1-3-4-9-6-11(14-13-9)12(16)17-7-10-5-8(2)18-15-10/h5-6H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyWXSXBQAEWXHJIO-UHFFFAOYSA-N
XLogP2.02
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55531590
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55563304
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 24671310
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55562307
2-(3-methylbutoxy)ethyl 5-propyl-1H-pyrazole-3-carboxylate
CID 60554709
[2-oxo-2-(prop-2-ynylamino)ethyl] 5-propyl-1H-pyrazole-3-carboxylate
CID 55546370
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 30657196
ethyl 5-(3-bromopropyl)-1H-pyrazole-3-carboxylate
CID 54326047
quinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55562186
(1-butyltetrazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55562305
(5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate
CID 8872522
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55531141

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate (CID 55562184) is (5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate is CCCc1cc(C(=O)OCc2cc(C)on2)n[nH]1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate?
The InChIKey is WXSXBQAEWXHJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-3-4-9-6-11(14-13-9)12(16)17-7-10-5-8(2)18-15-10/h5-6H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate?
(5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 55562184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).