(2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate

C18H15N3O3S — CID 16604239

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCc1nn(C)c2sc(C(=O)OCc3coc(-c4ccccc4)n3)cc12
InChIInChI=1S/C18H15N3O3S/c1-11-14-8-15(25-17(14)21(2)20-11)18(22)24-10-13-9-23-16(19-13)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyQSPMBGWNUTWWPN-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.96
Rot. Bonds4

About (2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate

(2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate (PubChem CID 16604239) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
PubChem CID16604239
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCc1nn(C)c2sc(C(=O)OCc3coc(-c4ccccc4)n3)cc12
InChIInChI=1S/C18H15N3O3S/c1-11-14-8-15(25-17(14)21(2)20-11)18(22)24-10-13-9-23-16(19-13)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyQSPMBGWNUTWWPN-UHFFFAOYSA-N
XLogP3.96
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-phenyltetrazol-5-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 18145271
ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 59986498
(2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 18169960
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate
CID 16508797
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 16604193
(2-phenyl-1,3-oxazol-4-yl)methyl 6-oxo-1-phenylpyridazine-3-carboxylate
CID 71897714
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 18197445
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 16527319
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 17456492
(1-methylimidazol-2-yl)methyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 4797615
(2-phenyl-1,3-oxazol-4-yl)methyl 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 32925580
(2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate
CID 166222394

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate (CID 16604239) is (2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate is Cc1nn(C)c2sc(C(=O)OCc3coc(-c4ccccc4)n3)cc12.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate?
The InChIKey is QSPMBGWNUTWWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-11-14-8-15(25-17(14)21(2)20-11)18(22)24-10-13-9-23-16(19-13)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate?
(2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate has a molecular weight of 353.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate is sourced from PubChem (CID 16604239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).