(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-N-(3-oxospiro[[1,3]oxazolo[3,4-a]indole-1,4'-oxane]-6-yl)-2,3-dihydro-1H-indolizine-3-carboxamide

C30H24ClN7O5 — CID 175000451

About (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-N-(3-oxospiro[[1,3]oxazolo[3,4-a]indole-1,4'-oxane]-6-yl)-2,3-dihydro-1H-indolizine-3-carboxamide

(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-N-(3-oxospiro[[1,3]oxazolo[3,4-a]indole-1,4'-oxane]-6-yl)-2,3-dihydro-1H-indolizine-3-carboxamide (PubChem CID 175000451) has the molecular formula C30H24ClN7O5 and a molecular weight of 598.02 g/mol. Its IUPAC name is (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-N-(3-oxospiro[[1,3]oxazolo[3,4-a]indole-1,4'-oxane]-6-yl)-2,3-dihydro-1H-indolizine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-N-(3-oxospiro[[1,3]oxazolo[3,4-a]indole-1,4'-oxane]-6-yl)-2,3-dihydro-1H-indolizine-3-carboxamide
• PubChem CID: 175000451
• Molecular Formula: C30H24ClN7O5
• Molecular Weight: 598.02 g/mol
• Exact Mass: 597.15
• IUPAC Name: (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-N-(3-oxospiro[[1,3]oxazolo[3,4-a]indole-1,4'-oxane]-6-yl)-2,3-dihydro-1H-indolizine-3-carboxamide
• SMILES: O=C1OC2(CCOCC2)n2c1cc1cc(NC(=O)[C@@H]3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)ccc12
• InChI: InChI=1S/C30H24ClN7O5/c31-19-1-4-24(36-16-32-34-35-36)22(15-19)17-12-21-3-6-25(37(21)27(39)14-17)28(40)33-20-2-5-23-18(11-20)13-26-29(41)43-30(38(23)26)7-9-42-10-8-30/h1-2,4-5,11-16,25H,3,6-10H2,(H,33,40)/t25-/m0/s1
• InChIKey: ZKSOSNJPMGCBPB-VWLOTQADSA-N
• XLogP: 3.86
• TPSA: 135.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.02
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-N-(3-oxospiro[[1,3]oxazolo[3,4-a]indole-1,4'-oxane]-6-yl)-2,3-dihydro-1H-indolizine-3-carboxamide?

The IUPAC name of (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-N-(3-oxospiro[[1,3]oxazolo[3,4-a]indole-1,4'-oxane]-6-yl)-2,3-dihydro-1H-indolizine-3-carboxamide (CID 175000451) is (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-N-(3-oxospiro[[1,3]oxazolo[3,4-a]indole-1,4'-oxane]-6-yl)-2,3-dihydro-1H-indolizine-3-carboxamide.

What is the SMILES notation for (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-N-(3-oxospiro[[1,3]oxazolo[3,4-a]indole-1,4'-oxane]-6-yl)-2,3-dihydro-1H-indolizine-3-carboxamide?

The canonical SMILES for (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-N-(3-oxospiro[[1,3]oxazolo[3,4-a]indole-1,4'-oxane]-6-yl)-2,3-dihydro-1H-indolizine-3-carboxamide is O=C1OC2(CCOCC2)n2c1cc1cc(NC(=O)[C@@H]3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)ccc12.

What is the InChIKey of (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-N-(3-oxospiro[[1,3]oxazolo[3,4-a]indole-1,4'-oxane]-6-yl)-2,3-dihydro-1H-indolizine-3-carboxamide?

The InChIKey is ZKSOSNJPMGCBPB-VWLOTQADSA-N. The full InChI is InChI=1S/C30H24ClN7O5/c31-19-1-4-24(36-16-32-34-35-36)22(15-19)17-12-21-3-6-25(37(21)27(39)14-17)28(40)33-20-2-5-23-18(11-20)13-26-29(41)43-30(38(23)26)7-9-42-10-8-30/h1-2,4-5,11-16,25H,3,6-10H2,(H,33,40)/t25-/m0/s1.

What are the key properties of (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-N-(3-oxospiro[[1,3]oxazolo[3,4-a]indole-1,4'-oxane]-6-yl)-2,3-dihydro-1H-indolizine-3-carboxamide?

(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-N-(3-oxospiro[[1,3]oxazolo[3,4-a]indole-1,4'-oxane]-6-yl)-2,3-dihydro-1H-indolizine-3-carboxamide has a molecular weight of 598.02 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-N-(3-oxospiro[[1,3]oxazolo[3,4-a]indole-1,4'-oxane]-6-yl)-2,3-dihydro-1H-indolizine-3-carboxamide is sourced from PubChem (CID 175000451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).