(2S,3S)-3-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one

C26H19ClFN9O2 — CID 174026697

About (2S,3S)-3-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one

(2S,3S)-3-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 174026697) has the molecular formula C26H19ClFN9O2 and a molecular weight of 543.95 g/mol. Its IUPAC name is (2S,3S)-3-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

• Compound Name: (2S,3S)-3-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one
• PubChem CID: 174026697
• Molecular Formula: C26H19ClFN9O2
• Molecular Weight: 543.95 g/mol
• Exact Mass: 543.13
• IUPAC Name: (2S,3S)-3-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one
• SMILES: C[C@H]1Cc2cc(-c3cc(Cl)ccc3-n3cnnn3)cc(=O)n2[C@@H]1c1nc(-c2ccc3c(N)noc3c2)c(F)[nH]1
• InChI: InChI=1S/C26H19ClFN9O2/c1-12-6-16-7-14(18-10-15(27)3-5-19(18)36-11-30-34-35-36)9-21(38)37(16)23(12)26-31-22(24(28)32-26)13-2-4-17-20(8-13)39-33-25(17)29/h2-5,7-12,23H,6H2,1H3,(H2,29,33)(H,31,32)/t12-,23-/m0/s1
• InChIKey: PMZLJXKDCOMBJM-MYODQAERSA-N
• XLogP: 4.18
• TPSA: 146.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.95
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one?

The IUPAC name of (2S,3S)-3-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one (CID 174026697) is (2S,3S)-3-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one.

What is the SMILES notation for (2S,3S)-3-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one?

The canonical SMILES for (2S,3S)-3-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one is C[C@H]1Cc2cc(-c3cc(Cl)ccc3-n3cnnn3)cc(=O)n2[C@@H]1c1nc(-c2ccc3c(N)noc3c2)c(F)[nH]1.

What is the InChIKey of (2S,3S)-3-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one?

The InChIKey is PMZLJXKDCOMBJM-MYODQAERSA-N. The full InChI is InChI=1S/C26H19ClFN9O2/c1-12-6-16-7-14(18-10-15(27)3-5-19(18)36-11-30-34-35-36)9-21(38)37(16)23(12)26-31-22(24(28)32-26)13-2-4-17-20(8-13)39-33-25(17)29/h2-5,7-12,23H,6H2,1H3,(H2,29,33)(H,31,32)/t12-,23-/m0/s1.

What are the key properties of (2S,3S)-3-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one?

(2S,3S)-3-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 543.95 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S)-3-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 174026697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).