5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylic acid

C19H17F3N4O4 — CID 67390730

IUPAC5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(NC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C19H17F3N4O4/c20-19(21,22)15-14(30-18(25-15)26-6-2-1-3-7-26)16(27)23-11-4-5-12-10(8-11)9-13(24-12)17(28)29/h4-5,8-9,24H,1-3,6-7H2,(H,23,27)(H,28,29)
InChIKeyBXJPDWDSSRSNSK-UHFFFAOYSA-N
MW422.36 g/mol
LogP4.12
Rot. Bonds4

About 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylic acid

5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylic acid (PubChem CID 67390730) has the molecular formula C19H17F3N4O4 and a molecular weight of 422.36 g/mol. Its IUPAC name is 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylic acid
PubChem CID67390730
Molecular FormulaC19H17F3N4O4
Molecular Weight422.36 g/mol
Exact Mass422.12
IUPAC Name5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(NC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C19H17F3N4O4/c20-19(21,22)15-14(30-18(25-15)26-6-2-1-3-7-26)16(27)23-11-4-5-12-10(8-11)9-13(24-12)17(28)29/h4-5,8-9,24H,1-3,6-7H2,(H,23,27)(H,28,29)
InChIKeyBXJPDWDSSRSNSK-UHFFFAOYSA-N
XLogP4.12
TPSA111.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylic acid?
The IUPAC name of 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylic acid (CID 67390730) is 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylic acid is O=C(O)c1cc2cc(NC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)ccc2[nH]1.
What is the InChIKey of 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylic acid?
The InChIKey is BXJPDWDSSRSNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O4/c20-19(21,22)15-14(30-18(25-15)26-6-2-1-3-7-26)16(27)23-11-4-5-12-10(8-11)9-13(24-12)17(28)29/h4-5,8-9,24H,1-3,6-7H2,(H,23,27)(H,28,29).
What are the key properties of 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylic acid?
5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylic acid has a molecular weight of 422.36 g/mol, XLogP of 4.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 67390730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).