cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-4H-1,3-oxazole-5-carboxylate

C27H33N3O5 — CID 162519011

IUPACcyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-4H-1,3-oxazole-5-carboxylate
SMILESCC(C)(O)c1cc(C2(C(=O)OC3CCCC3)CN=C(Nc3c4c(cc5c3CCC5)CCC4)O2)no1
InChIInChI=1S/C27H33N3O5/c1-26(2,32)22-14-21(30-35-22)27(24(31)33-18-9-3-4-10-18)15-28-25(34-27)29-23-19-11-5-7-16(19)13-17-8-6-12-20(17)23/h13-14,18,32H,3-12,15H2,1-2H3,(H,28,29)
InChIKeyZTDYGMHDIOSJMX-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.06
Rot. Bonds5

About cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-4H-1,3-oxazole-5-carboxylate

cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-4H-1,3-oxazole-5-carboxylate (PubChem CID 162519011) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-4H-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namecyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-4H-1,3-oxazole-5-carboxylate
PubChem CID162519011
Molecular FormulaC27H33N3O5
Molecular Weight479.58 g/mol
Exact Mass479.24
IUPAC Namecyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-4H-1,3-oxazole-5-carboxylate
SMILESCC(C)(O)c1cc(C2(C(=O)OC3CCCC3)CN=C(Nc3c4c(cc5c3CCC5)CCC4)O2)no1
InChIInChI=1S/C27H33N3O5/c1-26(2,32)22-14-21(30-35-22)27(24(31)33-18-9-3-4-10-18)15-28-25(34-27)29-23-19-11-5-7-16(19)13-17-8-6-12-20(17)23/h13-14,18,32H,3-12,15H2,1-2H3,(H,28,29)
InChIKeyZTDYGMHDIOSJMX-UHFFFAOYSA-N
XLogP4.06
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-4H-1,3-oxazole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-4H-1,3-oxazole-5-carboxylate?
The IUPAC name of cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-4H-1,3-oxazole-5-carboxylate (CID 162519011) is cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-4H-1,3-oxazole-5-carboxylate.
What is the SMILES notation for cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-4H-1,3-oxazole-5-carboxylate?
The canonical SMILES for cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-4H-1,3-oxazole-5-carboxylate is CC(C)(O)c1cc(C2(C(=O)OC3CCCC3)CN=C(Nc3c4c(cc5c3CCC5)CCC4)O2)no1.
What is the InChIKey of cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-4H-1,3-oxazole-5-carboxylate?
The InChIKey is ZTDYGMHDIOSJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5/c1-26(2,32)22-14-21(30-35-22)27(24(31)33-18-9-3-4-10-18)15-28-25(34-27)29-23-19-11-5-7-16(19)13-17-8-6-12-20(17)23/h13-14,18,32H,3-12,15H2,1-2H3,(H,28,29).
What are the key properties of cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-4H-1,3-oxazole-5-carboxylate?
cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-4H-1,3-oxazole-5-carboxylate has a molecular weight of 479.58 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-4H-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 162519011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).