N-[2-[4-[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide

C22H23N3O5 — CID 23912293

IUPACN-[2-[4-[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCC(N2C(=O)O[C@H]3Cc4ccccc4[C@H]32)CC1)c1ccco1
InChIInChI=1S/C22H23N3O5/c26-19(13-23-21(27)17-6-3-11-29-17)24-9-7-15(8-10-24)25-20-16-5-2-1-4-14(16)12-18(20)30-22(25)28/h1-6,11,15,18,20H,7-10,12-13H2,(H,23,27)/t18-,20+/m0/s1
InChIKeySWDOOANLSKWNSI-AZUAARDMSA-N
MW409.44 g/mol
LogP2.12
Rot. Bonds4

About N-[2-[4-[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide

N-[2-[4-[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 23912293) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[2-[4-[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
PubChem CID23912293
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[2-[4-[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCC(N2C(=O)O[C@H]3Cc4ccccc4[C@H]32)CC1)c1ccco1
InChIInChI=1S/C22H23N3O5/c26-19(13-23-21(27)17-6-3-11-29-17)24-9-7-15(8-10-24)25-20-16-5-2-1-4-14(16)12-18(20)30-22(25)28/h1-6,11,15,18,20H,7-10,12-13H2,(H,23,27)/t18-,20+/m0/s1
InChIKeySWDOOANLSKWNSI-AZUAARDMSA-N
XLogP2.12
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide (CID 23912293) is N-[2-[4-[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N1CCC(N2C(=O)O[C@H]3Cc4ccccc4[C@H]32)CC1)c1ccco1.
What is the InChIKey of N-[2-[4-[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is SWDOOANLSKWNSI-AZUAARDMSA-N. The full InChI is InChI=1S/C22H23N3O5/c26-19(13-23-21(27)17-6-3-11-29-17)24-9-7-15(8-10-24)25-20-16-5-2-1-4-14(16)12-18(20)30-22(25)28/h1-6,11,15,18,20H,7-10,12-13H2,(H,23,27)/t18-,20+/m0/s1.
What are the key properties of N-[2-[4-[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[4-[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 23912293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).