5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide

C19H15ClF4N4O3 — CID 155255615

IUPAC5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(NC(=O)c1onc2c1CN(C(=O)c1cc3c(Cl)c(F)ccc3[nH]1)CC2)C(F)(F)F
InChIInChI=1S/C19H15ClF4N4O3/c1-8(19(22,23)24)25-17(29)16-10-7-28(5-4-13(10)27-31-16)18(30)14-6-9-12(26-14)3-2-11(21)15(9)20/h2-3,6,8,26H,4-5,7H2,1H3,(H,25,29)
InChIKeyITWXMQSIBZBWOC-UHFFFAOYSA-N
MW458.80 g/mol
LogP3.83
Rot. Bonds3

About 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide

5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 155255615) has the molecular formula C19H15ClF4N4O3 and a molecular weight of 458.80 g/mol. Its IUPAC name is 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide
PubChem CID155255615
Molecular FormulaC19H15ClF4N4O3
Molecular Weight458.80 g/mol
Exact Mass458.08
IUPAC Name5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(NC(=O)c1onc2c1CN(C(=O)c1cc3c(Cl)c(F)ccc3[nH]1)CC2)C(F)(F)F
InChIInChI=1S/C19H15ClF4N4O3/c1-8(19(22,23)24)25-17(29)16-10-7-28(5-4-13(10)27-31-16)18(30)14-6-9-12(26-14)3-2-11(21)15(9)20/h2-3,6,8,26H,4-5,7H2,1H3,(H,25,29)
InChIKeyITWXMQSIBZBWOC-UHFFFAOYSA-N
XLogP3.83
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.80
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide (CID 155255615) is 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide is CC(NC(=O)c1onc2c1CN(C(=O)c1cc3c(Cl)c(F)ccc3[nH]1)CC2)C(F)(F)F.
What is the InChIKey of 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is ITWXMQSIBZBWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF4N4O3/c1-8(19(22,23)24)25-17(29)16-10-7-28(5-4-13(10)27-31-16)18(30)14-6-9-12(26-14)3-2-11(21)15(9)20/h2-3,6,8,26H,4-5,7H2,1H3,(H,25,29).
What are the key properties of 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide?
5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 458.80 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 155255615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).