N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide

C20H14ClF3N4O2 — CID 118453551

IUPACN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cccc(Cl)c12
InChIInChI=1S/C20H14ClF3N4O2/c1-11-14(10-30-27-11)19(29)25-18-17-15(21)3-2-4-16(17)28(26-18)9-12-5-7-13(8-6-12)20(22,23)24/h2-8,10H,9H2,1H3,(H,25,26,29)
InChIKeyOUGNXCBEGGDAMC-UHFFFAOYSA-N
MW434.81 g/mol
LogP5.31
Rot. Bonds4

About N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 118453551) has the molecular formula C20H14ClF3N4O2 and a molecular weight of 434.81 g/mol. Its IUPAC name is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID118453551
Molecular FormulaC20H14ClF3N4O2
Molecular Weight434.81 g/mol
Exact Mass434.08
IUPAC NameN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cccc(Cl)c12
InChIInChI=1S/C20H14ClF3N4O2/c1-11-14(10-30-27-11)19(29)25-18-17-15(21)3-2-4-16(17)28(26-18)9-12-5-7-13(8-6-12)20(22,23)24/h2-8,10H,9H2,1H3,(H,25,26,29)
InChIKeyOUGNXCBEGGDAMC-UHFFFAOYSA-N
XLogP5.31
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.81
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide (CID 118453551) is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cccc(Cl)c12.
What is the InChIKey of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OUGNXCBEGGDAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4O2/c1-11-14(10-30-27-11)19(29)25-18-17-15(21)3-2-4-16(17)28(26-18)9-12-5-7-13(8-6-12)20(22,23)24/h2-8,10H,9H2,1H3,(H,25,26,29).
What are the key properties of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 434.81 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 118453551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).