ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate

C24H29N3O4 — CID 162518969

IUPACethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)C1(c2cc(C(C)C)on2)CN=C(Nc2c3c(cc4c2CCC4)CCC3)O1
InChIInChI=1S/C24H29N3O4/c1-4-29-22(28)24(20-12-19(14(2)3)31-27-20)13-25-23(30-24)26-21-17-9-5-7-15(17)11-16-8-6-10-18(16)21/h11-12,14H,4-10,13H2,1-3H3,(H,25,26)
InChIKeyOUTZVQDLZKUBLF-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.03
Rot. Bonds5

About ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate

ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate (PubChem CID 162518969) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate
PubChem CID162518969
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Nameethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)C1(c2cc(C(C)C)on2)CN=C(Nc2c3c(cc4c2CCC4)CCC3)O1
InChIInChI=1S/C24H29N3O4/c1-4-29-22(28)24(20-12-19(14(2)3)31-27-20)13-25-23(30-24)26-21-17-9-5-7-15(17)11-16-8-6-10-18(16)21/h11-12,14H,4-10,13H2,1-3H3,(H,25,26)
InChIKeyOUTZVQDLZKUBLF-UHFFFAOYSA-N
XLogP4.03
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(5-propan-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 ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate (CID 162518969) is ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate is CCOC(=O)C1(c2cc(C(C)C)on2)CN=C(Nc2c3c(cc4c2CCC4)CCC3)O1.
What is the InChIKey of ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate?
The InChIKey is OUTZVQDLZKUBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-4-29-22(28)24(20-12-19(14(2)3)31-27-20)13-25-23(30-24)26-21-17-9-5-7-15(17)11-16-8-6-10-18(16)21/h11-12,14H,4-10,13H2,1-3H3,(H,25,26).
What are the key properties of ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate?
ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate has a molecular weight of 423.51 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 162518969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).