N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C17H23N3O4 — CID 94022971

IUPACN-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN([C@@H](C)CNC(=O)c2cc(-c3ccco3)on2)C[C@H](C)O1
InChIInChI=1S/C17H23N3O4/c1-11(20-9-12(2)23-13(3)10-20)8-18-17(21)14-7-16(24-19-14)15-5-4-6-22-15/h4-7,11-13H,8-10H2,1-3H3,(H,18,21)/t11-,12-,13+/m0/s1
InChIKeyPKBPFFCCGVWBDC-RWMBFGLXSA-N
MW333.39 g/mol
LogP2.16
Rot. Bonds5

About N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 94022971) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID94022971
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN([C@@H](C)CNC(=O)c2cc(-c3ccco3)on2)C[C@H](C)O1
InChIInChI=1S/C17H23N3O4/c1-11(20-9-12(2)23-13(3)10-20)8-18-17(21)14-7-16(24-19-14)15-5-4-6-22-15/h4-7,11-13H,8-10H2,1-3H3,(H,18,21)/t11-,12-,13+/m0/s1
InChIKeyPKBPFFCCGVWBDC-RWMBFGLXSA-N
XLogP2.16
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-2-carboxamide
CID 98718393
5-(furan-2-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302485
N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 103770495
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3-methylfuran-2-carboxamide
CID 47028009
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934747
N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 37150102
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]pyridine-4-carboxamide
CID 42958335
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 94219223
5-(furan-2-yl)-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302814
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 122265553
5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide
CID 94022762

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 94022971) is N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is C[C@@H]1CN([C@@H](C)CNC(=O)c2cc(-c3ccco3)on2)C[C@H](C)O1.
What is the InChIKey of N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is PKBPFFCCGVWBDC-RWMBFGLXSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-11(20-9-12(2)23-13(3)10-20)8-18-17(21)14-7-16(24-19-14)15-5-4-6-22-15/h4-7,11-13H,8-10H2,1-3H3,(H,18,21)/t11-,12-,13+/m0/s1.
What are the key properties of N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 94022971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).