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

C22H24N4O4 — CID 123325887

IUPAC8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESCCC(NC(=O)c1cc(C(=O)NCc2ncco2)c2n1CCOC2)c1ccccc1
InChIInChI=1S/C22H24N4O4/c1-2-17(15-6-4-3-5-7-15)25-22(28)18-12-16(19-14-29-11-9-26(18)19)21(27)24-13-20-23-8-10-30-20/h3-8,10,12,17H,2,9,11,13-14H2,1H3,(H,24,27)(H,25,28)
InChIKeyHCKGJIYKCUNFGB-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.82
Rot. Bonds7

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

8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (PubChem CID 123325887) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.

Molecular Properties

Compound Name8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
PubChem CID123325887
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESCCC(NC(=O)c1cc(C(=O)NCc2ncco2)c2n1CCOC2)c1ccccc1
InChIInChI=1S/C22H24N4O4/c1-2-17(15-6-4-3-5-7-15)25-22(28)18-12-16(19-14-29-11-9-26(18)19)21(27)24-13-20-23-8-10-30-20/h3-8,10,12,17H,2,9,11,13-14H2,1H3,(H,24,27)(H,25,28)
InChIKeyHCKGJIYKCUNFGB-UHFFFAOYSA-N
XLogP2.82
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide with MolForge

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Related Compounds

6-N-[(1R)-1-phenylpropyl]-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 71696001
6-N-[1-(5-methoxypyrazin-2-yl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 126514728
methyl 3-[[[8-(1-phenylpropylcarbamoyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]amino]methyl]benzoate
CID 123542135
6-N-[1-(6-methoxy-2-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 126514686
6-N-(cyclopropylmethyl)-6-N-methyl-8-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 123845454
6-[(3R)-3-(6-methoxy-3-pyridinyl)pentanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 134233406
6-(2,2-dimethylpyrrolidine-1-carbonyl)-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 123314351
6-[2-[hydroxy(phenyl)methyl]pyrrolidine-1-carbonyl]-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 123923490
6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 71696451
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
N-[(1R)-1-phenylpropyl]-6-[(3S)-3-[3-(trifluoromethyl)phenyl]pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 147342641
6-N-(1-cyclopropylethyl)-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 126514439

Frequently Asked Questions

What is the IUPAC name of 8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The IUPAC name of 8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (CID 123325887) is 8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.
What is the SMILES notation for 8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The canonical SMILES for 8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is CCC(NC(=O)c1cc(C(=O)NCc2ncco2)c2n1CCOC2)c1ccccc1.
What is the InChIKey of 8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The InChIKey is HCKGJIYKCUNFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-2-17(15-6-4-3-5-7-15)25-22(28)18-12-16(19-14-29-11-9-26(18)19)21(27)24-13-20-23-8-10-30-20/h3-8,10,12,17H,2,9,11,13-14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is sourced from PubChem (CID 123325887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).