2-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide

C19H18FN5O4S — CID 154679446

IUPAC2-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ncc(C(=O)N(C)C)s4)no3)c2cc1F
InChIInChI=1S/C19H18FN5O4S/c1-25(2)19(26)16-9-21-18(30-16)13-8-15(29-24-13)17-10-6-11(20)14(28-5-4-27-3)7-12(10)22-23-17/h6-9H,4-5H2,1-3H3,(H,22,23)
InChIKeyQOENVZFERWKRIG-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.21
Rot. Bonds7

About 2-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide

2-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 154679446) has the molecular formula C19H18FN5O4S and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID154679446
Molecular FormulaC19H18FN5O4S
Molecular Weight431.45 g/mol
Exact Mass431.11
IUPAC Name2-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ncc(C(=O)N(C)C)s4)no3)c2cc1F
InChIInChI=1S/C19H18FN5O4S/c1-25(2)19(26)16-9-21-18(30-16)13-8-15(29-24-13)17-10-6-11(20)14(28-5-4-27-3)7-12(10)22-23-17/h6-9H,4-5H2,1-3H3,(H,22,23)
InChIKeyQOENVZFERWKRIG-UHFFFAOYSA-N
XLogP3.21
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide (CID 154679446) is 2-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide is COCCOc1cc2[nH]nc(-c3cc(-c4ncc(C(=O)N(C)C)s4)no3)c2cc1F.
What is the InChIKey of 2-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is QOENVZFERWKRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O4S/c1-25(2)19(26)16-9-21-18(30-16)13-8-15(29-24-13)17-10-6-11(20)14(28-5-4-27-3)7-12(10)22-23-17/h6-9H,4-5H2,1-3H3,(H,22,23).
What are the key properties of 2-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide?
2-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154679446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).