6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide

C24H26FN5O3 — CID 71695881

IUPAC6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-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](C)c2ccc(F)cc2)n2c1COCC2)c1ncccn1
InChIInChI=1S/C24H26FN5O3/c1-3-19(22-26-9-4-10-27-22)29-23(31)18-13-20(30-11-12-33-14-21(18)30)24(32)28-15(2)16-5-7-17(25)8-6-16/h4-10,13,15,19H,3,11-12,14H2,1-2H3,(H,28,32)(H,29,31)/t15-,19-/m1/s1
InChIKeyWMOWXUZSPFIQOB-DNVCBOLYSA-N
MW451.50 g/mol
LogP3.32
Rot. Bonds7

About 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide

6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (PubChem CID 71695881) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.

Molecular Properties

Compound Name6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
PubChem CID71695881
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-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](C)c2ccc(F)cc2)n2c1COCC2)c1ncccn1
InChIInChI=1S/C24H26FN5O3/c1-3-19(22-26-9-4-10-27-22)29-23(31)18-13-20(30-11-12-33-14-21(18)30)24(32)28-15(2)16-5-7-17(25)8-6-16/h4-10,13,15,19H,3,11-12,14H2,1-2H3,(H,28,32)(H,29,31)/t15-,19-/m1/s1
InChIKeyWMOWXUZSPFIQOB-DNVCBOLYSA-N
XLogP3.32
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-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 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The IUPAC name of 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (CID 71695881) is 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.
What is the SMILES notation for 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The canonical SMILES for 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-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](C)c2ccc(F)cc2)n2c1COCC2)c1ncccn1.
What is the InChIKey of 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The InChIKey is WMOWXUZSPFIQOB-DNVCBOLYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-3-19(22-26-9-4-10-27-22)29-23(31)18-13-20(30-11-12-33-14-21(18)30)24(32)28-15(2)16-5-7-17(25)8-6-16/h4-10,13,15,19H,3,11-12,14H2,1-2H3,(H,28,32)(H,29,31)/t15-,19-/m1/s1.
What are the key properties of 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide has a molecular weight of 451.50 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-[(1R)-1-pyrimidin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is sourced from PubChem (CID 71695881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).