N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide

C18H23F3N4O3 — CID 139425090

IUPACN-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide
SMILESCCC1NC(c2ccc3c(c2)CC[C@H]3NC(=O)C2OCNC2C(F)(F)F)NO1
InChIInChI=1S/C18H23F3N4O3/c1-2-13-24-16(25-28-13)10-3-5-11-9(7-10)4-6-12(11)23-17(26)14-15(18(19,20)21)22-8-27-14/h3,5,7,12-16,22,24-25H,2,4,6,8H2,1H3,(H,23,26)/t12-,13?,14?,15?,16?/m1/s1
InChIKeyCCQHFPJBJSUZRR-DYCFOQDWSA-N
MW400.40 g/mol
LogP1.53
Rot. Bonds4

About N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide

N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide (PubChem CID 139425090) has the molecular formula C18H23F3N4O3 and a molecular weight of 400.40 g/mol. Its IUPAC name is N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide
PubChem CID139425090
Molecular FormulaC18H23F3N4O3
Molecular Weight400.40 g/mol
Exact Mass400.17
IUPAC NameN-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide
SMILESCCC1NC(c2ccc3c(c2)CC[C@H]3NC(=O)C2OCNC2C(F)(F)F)NO1
InChIInChI=1S/C18H23F3N4O3/c1-2-13-24-16(25-28-13)10-3-5-11-9(7-10)4-6-12(11)23-17(26)14-15(18(19,20)21)22-8-27-14/h3,5,7,12-16,22,24-25H,2,4,6,8H2,1H3,(H,23,26)/t12-,13?,14?,15?,16?/m1/s1
InChIKeyCCQHFPJBJSUZRR-DYCFOQDWSA-N
XLogP1.53
TPSA83.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide with MolForge

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Related Compounds

N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3,4-thiadiazolidine-2-carboxamide
CID 155296563
2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide
CID 139425087
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-4-carboxamide
CID 139425024
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide
CID 155296586
4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide
CID 139425116
1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide
CID 155296577
N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2-diazaspiro[5.9]pentadecane-5-carboxamide
CID 155296643
N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903765
[5-[[2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 88531191
(3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide
CID 94660919
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
CID 94198795
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide
CID 79740816

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide?
The IUPAC name of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide (CID 139425090) is N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide is CCC1NC(c2ccc3c(c2)CC[C@H]3NC(=O)C2OCNC2C(F)(F)F)NO1.
What is the InChIKey of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide?
The InChIKey is CCQHFPJBJSUZRR-DYCFOQDWSA-N. The full InChI is InChI=1S/C18H23F3N4O3/c1-2-13-24-16(25-28-13)10-3-5-11-9(7-10)4-6-12(11)23-17(26)14-15(18(19,20)21)22-8-27-14/h3,5,7,12-16,22,24-25H,2,4,6,8H2,1H3,(H,23,26)/t12-,13?,14?,15?,16?/m1/s1.
What are the key properties of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide?
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide has a molecular weight of 400.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 139425090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).