N-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C18H32FN5O2 — CID 147862736

IUPACN-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(F)C2CC(C(=O)NC3CCCC(C4NNC(N)O4)C3)NC12
InChIInChI=1S/C18H32FN5O2/c1-9-5-6-13(19)12-8-14(22-15(9)12)16(25)21-11-4-2-3-10(7-11)17-23-24-18(20)26-17/h9-15,17-18,22-24H,2-8,20H2,1H3,(H,21,25)
InChIKeyXYNRTLWZBDHWMT-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.47
Rot. Bonds3

About N-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 147862736) has the molecular formula C18H32FN5O2 and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID147862736
Molecular FormulaC18H32FN5O2
Molecular Weight369.49 g/mol
Exact Mass369.25
IUPAC NameN-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(F)C2CC(C(=O)NC3CCCC(C4NNC(N)O4)C3)NC12
InChIInChI=1S/C18H32FN5O2/c1-9-5-6-13(19)12-8-14(22-15(9)12)16(25)21-11-4-2-3-10(7-11)17-23-24-18(20)26-17/h9-15,17-18,22-24H,2-8,20H2,1H3,(H,21,25)
InChIKeyXYNRTLWZBDHWMT-UHFFFAOYSA-N
XLogP0.47
TPSA100.44 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 147862736) is N-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC1CCC(F)C2CC(C(=O)NC3CCCC(C4NNC(N)O4)C3)NC12.
What is the InChIKey of N-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is XYNRTLWZBDHWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32FN5O2/c1-9-5-6-13(19)12-8-14(22-15(9)12)16(25)21-11-4-2-3-10(7-11)17-23-24-18(20)26-17/h9-15,17-18,22-24H,2-8,20H2,1H3,(H,21,25).
What are the key properties of N-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 0.47, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 147862736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).