6-[3-(1-ethyltetrazol-5-yl)butanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide

C24H30N6O3 — CID 159587538

About 6-[3-(1-ethyltetrazol-5-yl)butanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide

6-[3-(1-ethyltetrazol-5-yl)butanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (PubChem CID 159587538) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 6-[3-(1-ethyltetrazol-5-yl)butanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide.

Molecular Properties

• Compound Name: 6-[3-(1-ethyltetrazol-5-yl)butanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
• PubChem CID: 159587538
• Molecular Formula: C24H30N6O3
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.24
• IUPAC Name: 6-[3-(1-ethyltetrazol-5-yl)butanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
• SMILES: CC[C@@H](NC(=O)c1cc(C(=O)CC(C)c2nnnn2CC)n2c1COCC2)c1ccccc1
• InChI: InChI=1S/C24H30N6O3/c1-4-19(17-9-7-6-8-10-17)25-24(32)18-14-20(29-11-12-33-15-21(18)29)22(31)13-16(3)23-26-27-28-30(23)5-2/h6-10,14,16,19H,4-5,11-13,15H2,1-3H3,(H,25,32)/t16?,19-/m1/s1
• InChIKey: MJUURQBMQSRRQM-LRTDYKAYSA-N
• XLogP: 3.28
• TPSA: 103.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[3-(1-ethyltetrazol-5-yl)butanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (CID 159587538) is 6-[3-(1-ethyltetrazol-5-yl)butanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide.

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

The canonical SMILES for 6-[3-(1-ethyltetrazol-5-yl)butanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide is CC[C@@H](NC(=O)c1cc(C(=O)CC(C)c2nnnn2CC)n2c1COCC2)c1ccccc1.

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

The InChIKey is MJUURQBMQSRRQM-LRTDYKAYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-4-19(17-9-7-6-8-10-17)25-24(32)18-14-20(29-11-12-33-15-21(18)29)22(31)13-16(3)23-26-27-28-30(23)5-2/h6-10,14,16,19H,4-5,11-13,15H2,1-3H3,(H,25,32)/t16?,19-/m1/s1.

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

6-[3-(1-ethyltetrazol-5-yl)butanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(1-ethyltetrazol-5-yl)butanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide is sourced from PubChem (CID 159587538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).