4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide

C22H17F3N4O5 — CID 57262773

IUPAC4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide
SMILESCOc1ccc(NC(=O)n2cc(-c3nc(C(N)=O)oc3C)c3cc(OC(F)(F)F)ccc32)cc1
InChIInChI=1S/C22H17F3N4O5/c1-11-18(28-20(33-11)19(26)30)16-10-29(21(31)27-12-3-5-13(32-2)6-4-12)17-8-7-14(9-15(16)17)34-22(23,24)25/h3-10H,1-2H3,(H2,26,30)(H,27,31)
InChIKeyNSSBDZQQCSBDJV-UHFFFAOYSA-N
MW474.40 g/mol
LogP4.69
Rot. Bonds5

About 4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide

4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide (PubChem CID 57262773) has the molecular formula C22H17F3N4O5 and a molecular weight of 474.40 g/mol. Its IUPAC name is 4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide
PubChem CID57262773
Molecular FormulaC22H17F3N4O5
Molecular Weight474.40 g/mol
Exact Mass474.12
IUPAC Name4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide
SMILESCOc1ccc(NC(=O)n2cc(-c3nc(C(N)=O)oc3C)c3cc(OC(F)(F)F)ccc32)cc1
InChIInChI=1S/C22H17F3N4O5/c1-11-18(28-20(33-11)19(26)30)16-10-29(21(31)27-12-3-5-13(32-2)6-4-12)17-8-7-14(9-15(16)17)34-22(23,24)25/h3-10H,1-2H3,(H2,26,30)(H,27,31)
InChIKeyNSSBDZQQCSBDJV-UHFFFAOYSA-N
XLogP4.69
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.40
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
CID 59804527
N-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59804529
3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
CID 59804507
5-methoxy-N-(4-methoxyphenyl)indole-1-carboxamide
CID 173299571
N-(4-methoxyphenyl)benzotriazole-1-carboxamide
CID 87105229
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
methyl 2-methyl-5-(trifluoromethoxy)-1-benzofuran-3-carboxylate
CID 178077306
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26288999
5-amino-1-[(4-methoxyphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]triazole-4-carboxamide
CID 1263588

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide?
The IUPAC name of 4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide (CID 57262773) is 4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for 4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide is COc1ccc(NC(=O)n2cc(-c3nc(C(N)=O)oc3C)c3cc(OC(F)(F)F)ccc32)cc1.
What is the InChIKey of 4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide?
The InChIKey is NSSBDZQQCSBDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O5/c1-11-18(28-20(33-11)19(26)30)16-10-29(21(31)27-12-3-5-13(32-2)6-4-12)17-8-7-14(9-15(16)17)34-22(23,24)25/h3-10H,1-2H3,(H2,26,30)(H,27,31).
What are the key properties of 4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide?
4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide has a molecular weight of 474.40 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 57262773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).