2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxyindazole-3-carboxamide

C21H22N4O4 — CID 170602915

IUPAC2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxyindazole-3-carboxamide
SMILESCn1nc2ccc(OCc3ccccc3)cc2c1C(=O)NCCN1CCOC1=O
InChIInChI=1S/C21H22N4O4/c1-24-19(20(26)22-9-10-25-11-12-28-21(25)27)17-13-16(7-8-18(17)23-24)29-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,22,26)
InChIKeyCTPOJNHCWMGFFQ-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.33
Rot. Bonds7

About 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxyindazole-3-carboxamide

2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxyindazole-3-carboxamide (PubChem CID 170602915) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxyindazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxyindazole-3-carboxamide
PubChem CID170602915
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxyindazole-3-carboxamide
SMILESCn1nc2ccc(OCc3ccccc3)cc2c1C(=O)NCCN1CCOC1=O
InChIInChI=1S/C21H22N4O4/c1-24-19(20(26)22-9-10-25-11-12-28-21(25)27)17-13-16(7-8-18(17)23-24)29-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,22,26)
InChIKeyCTPOJNHCWMGFFQ-UHFFFAOYSA-N
XLogP2.33
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxyindazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxyindazole-3-carboxamide (CID 170602915) is 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxyindazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxyindazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxyindazole-3-carboxamide is Cn1nc2ccc(OCc3ccccc3)cc2c1C(=O)NCCN1CCOC1=O.
What is the InChIKey of 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxyindazole-3-carboxamide?
The InChIKey is CTPOJNHCWMGFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-24-19(20(26)22-9-10-25-11-12-28-21(25)27)17-13-16(7-8-18(17)23-24)29-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,22,26).
What are the key properties of 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxyindazole-3-carboxamide?
2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxyindazole-3-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxyindazole-3-carboxamide is sourced from PubChem (CID 170602915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).