6-N-ethyl-6-N-[(2-methyltetrazol-5-yl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide

C23H29N7O3 — CID 118946078

About 6-N-ethyl-6-N-[(2-methyltetrazol-5-yl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide

6-N-ethyl-6-N-[(2-methyltetrazol-5-yl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (PubChem CID 118946078) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 6-N-ethyl-6-N-[(2-methyltetrazol-5-yl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-ethyl-6-N-[(2-methyltetrazol-5-yl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
• PubChem CID: 118946078
• Molecular Formula: C23H29N7O3
• Molecular Weight: 451.53 g/mol
• Exact Mass: 451.23
• IUPAC Name: 6-N-ethyl-6-N-[(2-methyltetrazol-5-yl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
• SMILES: CC[C@@H](NC(=O)c1cc(C(=O)N(CC)Cc2nnn(C)n2)n2c1COCC2)c1ccccc1
• InChI: InChI=1S/C23H29N7O3/c1-4-18(16-9-7-6-8-10-16)24-22(31)17-13-19(30-11-12-33-15-20(17)30)23(32)29(5-2)14-21-25-27-28(3)26-21/h6-10,13,18H,4-5,11-12,14-15H2,1-3H3,(H,24,31)/t18-/m1/s1
• InChIKey: CISXVHHDZYCIAI-GOSISDBHSA-N
• XLogP: 2.09
• TPSA: 107.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-6-N-[(2-methyltetrazol-5-yl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?

The IUPAC name of 6-N-ethyl-6-N-[(2-methyltetrazol-5-yl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (CID 118946078) is 6-N-ethyl-6-N-[(2-methyltetrazol-5-yl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.

What is the SMILES notation for 6-N-ethyl-6-N-[(2-methyltetrazol-5-yl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?

The canonical SMILES for 6-N-ethyl-6-N-[(2-methyltetrazol-5-yl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is CC[C@@H](NC(=O)c1cc(C(=O)N(CC)Cc2nnn(C)n2)n2c1COCC2)c1ccccc1.

What is the InChIKey of 6-N-ethyl-6-N-[(2-methyltetrazol-5-yl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?

The InChIKey is CISXVHHDZYCIAI-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-4-18(16-9-7-6-8-10-16)24-22(31)17-13-19(30-11-12-33-15-20(17)30)23(32)29(5-2)14-21-25-27-28(3)26-21/h6-10,13,18H,4-5,11-12,14-15H2,1-3H3,(H,24,31)/t18-/m1/s1.

What are the key properties of 6-N-ethyl-6-N-[(2-methyltetrazol-5-yl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?

6-N-ethyl-6-N-[(2-methyltetrazol-5-yl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide has a molecular weight of 451.53 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-ethyl-6-N-[(2-methyltetrazol-5-yl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is sourced from PubChem (CID 118946078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).