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

C16H18N4O2 — CID 72917712

IUPACN-[(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nnc(C2CC2)o1
InChIInChI=1S/C16H18N4O2/c1-9(21)17-13-8-11-4-2-3-5-12(11)14(13)18-16-20-19-15(22-16)10-6-7-10/h2-5,10,13-14H,6-8H2,1H3,(H,17,21)(H,18,20)/t13-,14-/m1/s1
InChIKeyLUTHBZLTSCWXBO-ZIAGYGMSSA-N
MW298.35 g/mol
LogP2.16
Rot. Bonds4

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

N-[(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide (PubChem CID 72917712) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide
PubChem CID72917712
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nnc(C2CC2)o1
InChIInChI=1S/C16H18N4O2/c1-9(21)17-13-8-11-4-2-3-5-12(11)14(13)18-16-20-19-15(22-16)10-6-7-10/h2-5,10,13-14H,6-8H2,1H3,(H,17,21)(H,18,20)/t13-,14-/m1/s1
InChIKeyLUTHBZLTSCWXBO-ZIAGYGMSSA-N
XLogP2.16
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2S)-N~2~-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)indane-1,2-diamine
CID 72886825
N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 174173622
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(4-fluorobenzyl)piperidin-3-amine
CID 72876035
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 72909336
5-cyclopropyl-N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine
CID 97195328
5-cyclopropyl-N-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine
CID 97195329
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97203299
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97203300
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 128990481
N'-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide
CID 72146854
2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide
CID 59415536
methane;2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide
CID 161886699

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide?
The IUPAC name of N-[(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide (CID 72917712) is N-[(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide is CC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nnc(C2CC2)o1.
What is the InChIKey of N-[(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide?
The InChIKey is LUTHBZLTSCWXBO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-9(21)17-13-8-11-4-2-3-5-12(11)14(13)18-16-20-19-15(22-16)10-6-7-10/h2-5,10,13-14H,6-8H2,1H3,(H,17,21)(H,18,20)/t13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide?
N-[(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide has a molecular weight of 298.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide is sourced from PubChem (CID 72917712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).