N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

C14H18N6O4 — CID 122253837

IUPACN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(CNC(=O)c2cnoc2C)nc(N2CCOCC2)n1
InChIInChI=1S/C14H18N6O4/c1-9-10(7-16-24-9)12(21)15-8-11-17-13(19-14(18-11)22-2)20-3-5-23-6-4-20/h7H,3-6,8H2,1-2H3,(H,15,21)
InChIKeyOPNIJVNNIGFOHX-UHFFFAOYSA-N
MW334.34 g/mol
LogP-0.06
Rot. Bonds5

About N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 122253837) has the molecular formula C14H18N6O4 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID122253837
Molecular FormulaC14H18N6O4
Molecular Weight334.34 g/mol
Exact Mass334.14
IUPAC NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(CNC(=O)c2cnoc2C)nc(N2CCOCC2)n1
InChIInChI=1S/C14H18N6O4/c1-9-10(7-16-24-9)12(21)15-8-11-17-13(19-14(18-11)22-2)20-3-5-23-6-4-20/h7H,3-6,8H2,1-2H3,(H,15,21)
InChIKeyOPNIJVNNIGFOHX-UHFFFAOYSA-N
XLogP-0.06
TPSA115.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 122253837) is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1nc(CNC(=O)c2cnoc2C)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OPNIJVNNIGFOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O4/c1-9-10(7-16-24-9)12(21)15-8-11-17-13(19-14(18-11)22-2)20-3-5-23-6-4-20/h7H,3-6,8H2,1-2H3,(H,15,21).
What are the key properties of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 334.34 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122253837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).