N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

C24H20Cl2F3N9O4 — CID 142564215

IUPACN-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESO=C(CN1CCOC1=O)NC(Cn1c(-c2ccc(Cl)cc2)nn(Cc2ncn(-c3ncccc3Cl)n2)c1=O)C(F)(F)F
InChIInChI=1S/C24H20Cl2F3N9O4/c25-15-5-3-14(4-6-15)20-34-37(11-18-31-13-38(33-18)21-16(26)2-1-7-30-21)22(40)36(20)10-17(24(27,28)29)32-19(39)12-35-8-9-42-23(35)41/h1-7,13,17H,8-12H2,(H,32,39)
InChIKeyMDCQFDQSPQMOFE-UHFFFAOYSA-N
MW626.38 g/mol
LogP2.54
Rot. Bonds9

About N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (PubChem CID 142564215) has the molecular formula C24H20Cl2F3N9O4 and a molecular weight of 626.38 g/mol. Its IUPAC name is N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
PubChem CID142564215
Molecular FormulaC24H20Cl2F3N9O4
Molecular Weight626.38 g/mol
Exact Mass625.10
IUPAC NameN-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESO=C(CN1CCOC1=O)NC(Cn1c(-c2ccc(Cl)cc2)nn(Cc2ncn(-c3ncccc3Cl)n2)c1=O)C(F)(F)F
InChIInChI=1S/C24H20Cl2F3N9O4/c25-15-5-3-14(4-6-15)20-34-37(11-18-31-13-38(33-18)21-16(26)2-1-7-30-21)22(40)36(20)10-17(24(27,28)29)32-19(39)12-35-8-9-42-23(35)41/h1-7,13,17H,8-12H2,(H,32,39)
InChIKeyMDCQFDQSPQMOFE-UHFFFAOYSA-N
XLogP2.54
TPSA142.06 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide with MolForge

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Related Compounds

US11149023, Example 63
CID 154621891
US11149023, Example 34
CID 162678028
US11149023, Example 39
CID 162678031
2-[5-(3-chloro-4-fluorophenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide
CID 86581024
3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one
CID 90417333
US9434719, 411 as TFA salt
CID 90454326
US9434719, 410 as TFA salt
CID 131635600
US10112931, Example 30
CID 137529255
US10112931, Example 31
CID 137529256
US11149023, Example 61
CID 142564202
US11149023, Example 19
CID 142564203
US11149023, Example 27
CID 142564204

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The IUPAC name of N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (CID 142564215) is N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.
What is the SMILES notation for N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The canonical SMILES for N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is O=C(CN1CCOC1=O)NC(Cn1c(-c2ccc(Cl)cc2)nn(Cc2ncn(-c3ncccc3Cl)n2)c1=O)C(F)(F)F.
What is the InChIKey of N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The InChIKey is MDCQFDQSPQMOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2F3N9O4/c25-15-5-3-14(4-6-15)20-34-37(11-18-31-13-38(33-18)21-16(26)2-1-7-30-21)22(40)36(20)10-17(24(27,28)29)32-19(39)12-35-8-9-42-23(35)41/h1-7,13,17H,8-12H2,(H,32,39).
What are the key properties of N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide has a molecular weight of 626.38 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is sourced from PubChem (CID 142564215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).