N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide

C13H15N5O3 — CID 122353371

IUPACN-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)n1)c1ccno1
InChIInChI=1S/C13H15N5O3/c19-12(11-2-4-16-21-11)15-9-10-1-3-14-13(17-10)18-5-7-20-8-6-18/h1-4H,5-9H2,(H,15,19)
InChIKeyJALQTLSJYLNTLN-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.23
Rot. Bonds4

About N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide

N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 122353371) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID122353371
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC NameN-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)n1)c1ccno1
InChIInChI=1S/C13H15N5O3/c19-12(11-2-4-16-21-11)15-9-10-1-3-14-13(17-10)18-5-7-20-8-6-18/h1-4H,5-9H2,(H,15,19)
InChIKeyJALQTLSJYLNTLN-UHFFFAOYSA-N
XLogP0.23
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122351951
2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967358
4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 122353608
2-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]butanamide
CID 122353332
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
CID 91967362
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide
CID 122353411
2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967359
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124939962
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122317397
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122352001

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide (CID 122353371) is N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide is O=C(NCc1ccnc(N2CCOCC2)n1)c1ccno1.
What is the InChIKey of N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is JALQTLSJYLNTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c19-12(11-2-4-16-21-11)15-9-10-1-3-14-13(17-10)18-5-7-20-8-6-18/h1-4H,5-9H2,(H,15,19).
What are the key properties of N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide?
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 122353371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).