4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine

C17H18N2O — CID 91456304

IUPAC4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESCC1OC(N)=NC12Cc1cccc(C3=CCC=C3)c1C2
InChIInChI=1S/C17H18N2O/c1-11-17(19-16(18)20-11)9-13-7-4-8-14(15(13)10-17)12-5-2-3-6-12/h2,4-8,11H,3,9-10H2,1H3,(H2,18,19)
InChIKeyCDKVLRNDRFACOI-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.60
Rot. Bonds1

About 4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine

4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 91456304) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
PubChem CID91456304
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESCC1OC(N)=NC12Cc1cccc(C3=CCC=C3)c1C2
InChIInChI=1S/C17H18N2O/c1-11-17(19-16(18)20-11)9-13-7-4-8-14(15(13)10-17)12-5-2-3-6-12/h2,4-8,11H,3,9-10H2,1H3,(H2,18,19)
InChIKeyCDKVLRNDRFACOI-UHFFFAOYSA-N
XLogP2.60
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 76794835
(2R,5'R)-5'-methyl-4-(1H-pyrrol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 58467009
(2R,5'R)-5'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 58466740
(2R,5'R)-5'-methyl-4-(3-methyl-4-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 58466754
(3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58466886
(3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58467312
(2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 159027905
9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene
CID 23213774
2-cyclohepta-1,4,6-trien-1-ylaniline
CID 134382260
8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58467280
2'-amino-4,5'-dimethylspiro[1,3-dihydroindene-2,4'-1,3-oxazole]-5'-ol
CID 91343951
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine
CID 64506787

Frequently Asked Questions

What is the IUPAC name of 4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of 4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (CID 91456304) is 4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for 4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is CC1OC(N)=NC12Cc1cccc(C3=CCC=C3)c1C2.
What is the InChIKey of 4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is CDKVLRNDRFACOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-17(19-16(18)20-11)9-13-7-4-8-14(15(13)10-17)12-5-2-3-6-12/h2,4-8,11H,3,9-10H2,1H3,(H2,18,19).
What are the key properties of 4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 266.34 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 91456304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).