N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide

C21H24N6O3 — CID 118877205

IUPACN-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCNc1ccnc(N2CCOCC2)n1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H24N6O3/c28-20(17-15-18(30-26-17)16-5-2-1-3-6-16)23-9-4-8-22-19-7-10-24-21(25-19)27-11-13-29-14-12-27/h1-3,5-7,10,15H,4,8-9,11-14H2,(H,23,28)(H,22,24,25)
InChIKeyGFDYVSUGPMVBEE-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.20
Rot. Bonds8

About N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 118877205) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID118877205
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC NameN-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCNc1ccnc(N2CCOCC2)n1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H24N6O3/c28-20(17-15-18(30-26-17)16-5-2-1-3-6-16)23-9-4-8-22-19-7-10-24-21(25-19)27-11-13-29-14-12-27/h1-3,5-7,10,15H,4,8-9,11-14H2,(H,23,28)(H,22,24,25)
InChIKeyGFDYVSUGPMVBEE-UHFFFAOYSA-N
XLogP2.20
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 118877021
[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 122344455
N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44602326
2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 117079763
5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122327578
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 122294216
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122293873
N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
N'-(2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 121204896
5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122327907
N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301579
N-benzyl-2-morpholin-4-ylpyrimidin-4-amine
CID 46891015

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 118877205) is N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCCCNc1ccnc(N2CCOCC2)n1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is GFDYVSUGPMVBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c28-20(17-15-18(30-26-17)16-5-2-1-3-6-16)23-9-4-8-22-19-7-10-24-21(25-19)27-11-13-29-14-12-27/h1-3,5-7,10,15H,4,8-9,11-14H2,(H,23,28)(H,22,24,25).
What are the key properties of N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118877205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).