1-amino-N-[[4-[3-chloro-2-(2-methyltetrazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1-carboxamide;3-methoxy-1,2-oxazole-5-carboxylic acid

C26H25ClN8O5 — CID 172688711

About 1-amino-N-[[4-[3-chloro-2-(2-methyltetrazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1-carboxamide;3-methoxy-1,2-oxazole-5-carboxylic acid

1-amino-N-[[4-[3-chloro-2-(2-methyltetrazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1-carboxamide;3-methoxy-1,2-oxazole-5-carboxylic acid (PubChem CID 172688711) has the molecular formula C26H25ClN8O5 and a molecular weight of 564.99 g/mol. Its IUPAC name is 1-amino-N-[[4-[3-chloro-2-(2-methyltetrazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1-carboxamide;3-methoxy-1,2-oxazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 1-amino-N-[[4-[3-chloro-2-(2-methyltetrazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1-carboxamide;3-methoxy-1,2-oxazole-5-carboxylic acid
• PubChem CID: 172688711
• Molecular Formula: C26H25ClN8O5
• Molecular Weight: 564.99 g/mol
• Exact Mass: 564.16
• IUPAC Name: 1-amino-N-[[4-[3-chloro-2-(2-methyltetrazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1-carboxamide;3-methoxy-1,2-oxazole-5-carboxylic acid
• SMILES: COc1cc(C(=O)O)on1.Cn1nnc(-c2c(Cl)c3ccccc3n2-c2ccc(CNC(=O)C3(N)CC3)cc2)n1
• InChI: InChI=1S/C21H20ClN7O.C5H5NO4/c1-28-26-19(25-27-28)18-17(22)15-4-2-3-5-16(15)29(18)14-8-6-13(7-9-14)12-24-20(30)21(23)10-11-21;1-9-4-2-3(5(7)8)10-6-4/h2-9H,10-12,23H2,1H3,(H,24,30);2H,1H3,(H,7,8)
• InChIKey: BJOHOADTMKIDPZ-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 176.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.99
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[4-[3-chloro-2-(2-methyltetrazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1-carboxamide;3-methoxy-1,2-oxazole-5-carboxylic acid?

The IUPAC name of 1-amino-N-[[4-[3-chloro-2-(2-methyltetrazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1-carboxamide;3-methoxy-1,2-oxazole-5-carboxylic acid (CID 172688711) is 1-amino-N-[[4-[3-chloro-2-(2-methyltetrazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1-carboxamide;3-methoxy-1,2-oxazole-5-carboxylic acid.

What is the SMILES notation for 1-amino-N-[[4-[3-chloro-2-(2-methyltetrazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1-carboxamide;3-methoxy-1,2-oxazole-5-carboxylic acid?

The canonical SMILES for 1-amino-N-[[4-[3-chloro-2-(2-methyltetrazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1-carboxamide;3-methoxy-1,2-oxazole-5-carboxylic acid is COc1cc(C(=O)O)on1.Cn1nnc(-c2c(Cl)c3ccccc3n2-c2ccc(CNC(=O)C3(N)CC3)cc2)n1.

What is the InChIKey of 1-amino-N-[[4-[3-chloro-2-(2-methyltetrazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1-carboxamide;3-methoxy-1,2-oxazole-5-carboxylic acid?

The InChIKey is BJOHOADTMKIDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN7O.C5H5NO4/c1-28-26-19(25-27-28)18-17(22)15-4-2-3-5-16(15)29(18)14-8-6-13(7-9-14)12-24-20(30)21(23)10-11-21;1-9-4-2-3(5(7)8)10-6-4/h2-9H,10-12,23H2,1H3,(H,24,30);2H,1H3,(H,7,8).

What are the key properties of 1-amino-N-[[4-[3-chloro-2-(2-methyltetrazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1-carboxamide;3-methoxy-1,2-oxazole-5-carboxylic acid?

1-amino-N-[[4-[3-chloro-2-(2-methyltetrazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1-carboxamide;3-methoxy-1,2-oxazole-5-carboxylic acid has a molecular weight of 564.99 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-N-[[4-[3-chloro-2-(2-methyltetrazol-5-yl)indol-1-yl]phenyl]methyl]cyclopropane-1-carboxamide;3-methoxy-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 172688711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).