5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide

C18H20N6O4 — CID 122327907

IUPAC5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCNc1cc(N2CCOCC2)ncn1)c1cc(-c2ccco2)on1
InChIInChI=1S/C18H20N6O4/c25-18(13-10-15(28-23-13)14-2-1-7-27-14)20-4-3-19-16-11-17(22-12-21-16)24-5-8-26-9-6-24/h1-2,7,10-12H,3-6,8-9H2,(H,20,25)(H,19,21,22)
InChIKeyZGQZYZFQMKLTCG-UHFFFAOYSA-N
MW384.40 g/mol
LogP1.40
Rot. Bonds7

About 5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 122327907) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID122327907
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC Name5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCNc1cc(N2CCOCC2)ncn1)c1cc(-c2ccco2)on1
InChIInChI=1S/C18H20N6O4/c25-18(13-10-15(28-23-13)14-2-1-7-27-14)20-4-3-19-16-11-17(22-12-21-16)24-5-8-26-9-6-24/h1-2,7,10-12H,3-6,8-9H2,(H,20,25)(H,19,21,22)
InChIKeyZGQZYZFQMKLTCG-UHFFFAOYSA-N
XLogP1.40
TPSA118.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(furan-2-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1,2-oxazole-3-carboxamide
CID 90544944
5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122327578
4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122328145
N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-nitrobenzamide
CID 122328147
4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122328012
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122327988
N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 70702890
5-(furan-2-yl)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122253794
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327950
2-cyclopropyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327986
N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-4-(trifluoromethoxy)benzamide
CID 122327974

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide (CID 122327907) is 5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCNc1cc(N2CCOCC2)ncn1)c1cc(-c2ccco2)on1.
What is the InChIKey of 5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZGQZYZFQMKLTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4/c25-18(13-10-15(28-23-13)14-2-1-7-27-14)20-4-3-19-16-11-17(22-12-21-16)24-5-8-26-9-6-24/h1-2,7,10-12H,3-6,8-9H2,(H,20,25)(H,19,21,22).
What are the key properties of 5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122327907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).