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

C20H23N7O3 — CID 122294216

IUPACN-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCc1nc(NCCNC(=O)c2cc(-c3cccnc3)on2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H23N7O3/c1-14-24-18(12-19(25-14)27-7-9-29-10-8-27)22-5-6-23-20(28)16-11-17(30-26-16)15-3-2-4-21-13-15/h2-4,11-13H,5-10H2,1H3,(H,23,28)(H,22,24,25)
InChIKeyGUBOXNMAOZRXLJ-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.51
Rot. Bonds7

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

N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 122294216) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID122294216
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC NameN-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCc1nc(NCCNC(=O)c2cc(-c3cccnc3)on2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H23N7O3/c1-14-24-18(12-19(25-14)27-7-9-29-10-8-27)22-5-6-23-20(28)16-11-17(30-26-16)15-3-2-4-21-13-15/h2-4,11-13H,5-10H2,1H3,(H,23,28)(H,22,24,25)
InChIKeyGUBOXNMAOZRXLJ-UHFFFAOYSA-N
XLogP1.51
TPSA118.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.51
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

N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122293873
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyridine-2-carboxamide
CID 122294062
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 70702870
4-acetyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122294236
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
CID 50945106
4-fluoro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56699188
4-chloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700161
2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700339
4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide
CID 122294149
3-fluoro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700196
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethyl)benzamide
CID 50946507
N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118877205

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 122294216) is N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is Cc1nc(NCCNC(=O)c2cc(-c3cccnc3)on2)cc(N2CCOCC2)n1.
What is the InChIKey of N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is GUBOXNMAOZRXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-14-24-18(12-19(25-14)27-7-9-29-10-8-27)22-5-6-23-20(28)16-11-17(30-26-16)15-3-2-4-21-13-15/h2-4,11-13H,5-10H2,1H3,(H,23,28)(H,22,24,25).
What are the key properties of N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122294216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).