(2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide

C18H18N4O3 — CID 139412891

IUPAC(2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide
SMILESO=C1C[C@H](C(=O)N[C@@H]2CCc3cc(-c4noc(C5CC5)n4)ccc32)N1
InChIInChI=1S/C18H18N4O3/c23-15-8-14(19-15)17(24)20-13-6-4-10-7-11(3-5-12(10)13)16-21-18(25-22-16)9-1-2-9/h3,5,7,9,13-14H,1-2,4,6,8H2,(H,19,23)(H,20,24)/t13-,14-/m1/s1
InChIKeyHJYXPBFIRKXSKW-ZIAGYGMSSA-N
MW338.37 g/mol
LogP1.61
Rot. Bonds4

About (2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide

(2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide (PubChem CID 139412891) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide
PubChem CID139412891
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name(2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide
SMILESO=C1C[C@H](C(=O)N[C@@H]2CCc3cc(-c4noc(C5CC5)n4)ccc32)N1
InChIInChI=1S/C18H18N4O3/c23-15-8-14(19-15)17(24)20-13-6-4-10-7-11(3-5-12(10)13)16-21-18(25-22-16)9-1-2-9/h3,5,7,9,13-14H,1-2,4,6,8H2,(H,19,23)(H,20,24)/t13-,14-/m1/s1
InChIKeyHJYXPBFIRKXSKW-ZIAGYGMSSA-N
XLogP1.61
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide with MolForge

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Related Compounds

N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 139412526
N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412881
N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 170957622
1-cyclopropyl-2-[(1S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone
CID 161398738
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide
CID 139413080
methyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139424965
N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 139412646
3-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 139412365
2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412727
tert-butyl N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139331126
5-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide
CID 139412194
2,2-difluoro-N-[(1R)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412601

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide (CID 139412891) is (2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide is O=C1C[C@H](C(=O)N[C@@H]2CCc3cc(-c4noc(C5CC5)n4)ccc32)N1.
What is the InChIKey of (2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide?
The InChIKey is HJYXPBFIRKXSKW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-15-8-14(19-15)17(24)20-13-6-4-10-7-11(3-5-12(10)13)16-21-18(25-22-16)9-1-2-9/h3,5,7,9,13-14H,1-2,4,6,8H2,(H,19,23)(H,20,24)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide?
(2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide is sourced from PubChem (CID 139412891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).