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

C23H26N4O4 — CID 71695753

IUPAC6-N-[1-(1,2-oxazol-3-yl)ethyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESCC[C@@H](NC(=O)c1cc(C(=O)NC(C)c2ccon2)n2c1COCC2)c1ccccc1
InChIInChI=1S/C23H26N4O4/c1-3-18(16-7-5-4-6-8-16)25-22(28)17-13-20(27-10-12-30-14-21(17)27)23(29)24-15(2)19-9-11-31-26-19/h4-9,11,13,15,18H,3,10,12,14H2,1-2H3,(H,24,29)(H,25,28)/t15?,18-/m1/s1
InChIKeyUWVIZGIZROMNFD-KPMSDPLLSA-N
MW422.49 g/mol
LogP3.38
Rot. Bonds7

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

6-N-[1-(1,2-oxazol-3-yl)ethyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (PubChem CID 71695753) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 6-N-[1-(1,2-oxazol-3-yl)ethyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.

Molecular Properties

Compound Name6-N-[1-(1,2-oxazol-3-yl)ethyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
PubChem CID71695753
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name6-N-[1-(1,2-oxazol-3-yl)ethyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESCC[C@@H](NC(=O)c1cc(C(=O)NC(C)c2ccon2)n2c1COCC2)c1ccccc1
InChIInChI=1S/C23H26N4O4/c1-3-18(16-7-5-4-6-8-16)25-22(28)17-13-20(27-10-12-30-14-21(17)27)23(29)24-15(2)19-9-11-31-26-19/h4-9,11,13,15,18H,3,10,12,14H2,1-2H3,(H,24,29)(H,25,28)/t15?,18-/m1/s1
InChIKeyUWVIZGIZROMNFD-KPMSDPLLSA-N
XLogP3.38
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-[1-(1,2-oxazol-3-yl)ethyl]-8-N-[(1R)-1-phenylpropyl]-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-[1-(1,2-oxazol-3-yl)ethyl]-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-[1-(1,2-oxazol-3-yl)ethyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (CID 71695753) is 6-N-[1-(1,2-oxazol-3-yl)ethyl]-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-[1-(1,2-oxazol-3-yl)ethyl]-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-[1-(1,2-oxazol-3-yl)ethyl]-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)NC(C)c2ccon2)n2c1COCC2)c1ccccc1.
What is the InChIKey of 6-N-[1-(1,2-oxazol-3-yl)ethyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The InChIKey is UWVIZGIZROMNFD-KPMSDPLLSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-3-18(16-7-5-4-6-8-16)25-22(28)17-13-20(27-10-12-30-14-21(17)27)23(29)24-15(2)19-9-11-31-26-19/h4-9,11,13,15,18H,3,10,12,14H2,1-2H3,(H,24,29)(H,25,28)/t15?,18-/m1/s1.
What are the key properties of 6-N-[1-(1,2-oxazol-3-yl)ethyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
6-N-[1-(1,2-oxazol-3-yl)ethyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(1,2-oxazol-3-yl)ethyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is sourced from PubChem (CID 71695753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).