8-N-[(1R)-1-phenylpropyl]-6-N-[(1S)-1-pyrazin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide

C25H29N5O3 — CID 71695754

IUPAC8-N-[(1R)-1-phenylpropyl]-6-N-[(1S)-1-pyrazin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESCC[C@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)c2n1CCOC2)c1cnccn1
InChIInChI=1S/C25H29N5O3/c1-3-19(17-8-6-5-7-9-17)28-24(31)18-14-22(30-12-13-33-16-23(18)30)25(32)29-20(4-2)21-15-26-10-11-27-21/h5-11,14-15,19-20H,3-4,12-13,16H2,1-2H3,(H,28,31)(H,29,32)/t19-,20+/m1/s1
InChIKeyVNZFUDHUSAVAGG-UXHICEINSA-N
MW447.54 g/mol
LogP3.57
Rot. Bonds8

About 8-N-[(1R)-1-phenylpropyl]-6-N-[(1S)-1-pyrazin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide

8-N-[(1R)-1-phenylpropyl]-6-N-[(1S)-1-pyrazin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (PubChem CID 71695754) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 8-N-[(1R)-1-phenylpropyl]-6-N-[(1S)-1-pyrazin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.

Molecular Properties

Compound Name8-N-[(1R)-1-phenylpropyl]-6-N-[(1S)-1-pyrazin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
PubChem CID71695754
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name8-N-[(1R)-1-phenylpropyl]-6-N-[(1S)-1-pyrazin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESCC[C@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)c2n1CCOC2)c1cnccn1
InChIInChI=1S/C25H29N5O3/c1-3-19(17-8-6-5-7-9-17)28-24(31)18-14-22(30-12-13-33-16-23(18)30)25(32)29-20(4-2)21-15-26-10-11-27-21/h5-11,14-15,19-20H,3-4,12-13,16H2,1-2H3,(H,28,31)(H,29,32)/t19-,20+/m1/s1
InChIKeyVNZFUDHUSAVAGG-UXHICEINSA-N
XLogP3.57
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-N-[(1R)-1-phenylpropyl]-6-N-[(1S)-1-pyrazin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-N-[(1R)-1-phenylpropyl]-6-N-[(1S)-1-pyrazin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The IUPAC name of 8-N-[(1R)-1-phenylpropyl]-6-N-[(1S)-1-pyrazin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (CID 71695754) is 8-N-[(1R)-1-phenylpropyl]-6-N-[(1S)-1-pyrazin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.
What is the SMILES notation for 8-N-[(1R)-1-phenylpropyl]-6-N-[(1S)-1-pyrazin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The canonical SMILES for 8-N-[(1R)-1-phenylpropyl]-6-N-[(1S)-1-pyrazin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is CC[C@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)c2n1CCOC2)c1cnccn1.
What is the InChIKey of 8-N-[(1R)-1-phenylpropyl]-6-N-[(1S)-1-pyrazin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The InChIKey is VNZFUDHUSAVAGG-UXHICEINSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-3-19(17-8-6-5-7-9-17)28-24(31)18-14-22(30-12-13-33-16-23(18)30)25(32)29-20(4-2)21-15-26-10-11-27-21/h5-11,14-15,19-20H,3-4,12-13,16H2,1-2H3,(H,28,31)(H,29,32)/t19-,20+/m1/s1.
What are the key properties of 8-N-[(1R)-1-phenylpropyl]-6-N-[(1S)-1-pyrazin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
8-N-[(1R)-1-phenylpropyl]-6-N-[(1S)-1-pyrazin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(1R)-1-phenylpropyl]-6-N-[(1S)-1-pyrazin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is sourced from PubChem (CID 71695754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).