(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate

C11H13N3O3 — CID 18122654

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate
SMILESCc1noc(C)c1COC(=O)c1cnn(C)c1
InChIInChI=1S/C11H13N3O3/c1-7-10(8(2)17-13-7)6-16-11(15)9-4-12-14(3)5-9/h4-5H,6H2,1-3H3
InChIKeyQYUQONKTVGIINN-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.38
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate (PubChem CID 18122654) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate
PubChem CID18122654
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate
SMILESCc1noc(C)c1COC(=O)c1cnn(C)c1
InChIInChI=1S/C11H13N3O3/c1-7-10(8(2)17-13-7)6-16-11(15)9-4-12-14(3)5-9/h4-5H,6H2,1-3H3
InChIKeyQYUQONKTVGIINN-UHFFFAOYSA-N
XLogP1.38
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 18131874
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 3881319
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 18192237
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 55392584
(4-fluoro-2-methylphenyl)methyl 1-methylpyrazole-4-carboxylate
CID 75484648
(4-chlorophenyl)methyl 1-methylpyrazole-4-carboxylate
CID 55425804
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide
CID 60540359
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-morpholin-4-ylsulfonylbenzoate
CID 2087848
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylpyrazole-4-carboxylate
CID 40767451
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate
CID 18074027
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 4781182
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate
CID 2364748

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate (CID 18122654) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate is Cc1noc(C)c1COC(=O)c1cnn(C)c1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate?
The InChIKey is QYUQONKTVGIINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-10(8(2)17-13-7)6-16-11(15)9-4-12-14(3)5-9/h4-5H,6H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 18122654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).