N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide

C13H20N2O4 — CID 114951604

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)CC2(O)CCOCC2)o1
InChIInChI=1S/C13H20N2O4/c1-9-11(19-10(2)14-9)12(16)15(3)8-13(17)4-6-18-7-5-13/h17H,4-8H2,1-3H3
InChIKeyYPYSFOHBDJXXJK-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.90
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide (PubChem CID 114951604) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide
PubChem CID114951604
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)CC2(O)CCOCC2)o1
InChIInChI=1S/C13H20N2O4/c1-9-11(19-10(2)14-9)12(16)15(3)8-13(17)4-6-18-7-5-13/h17H,4-8H2,1-3H3
InChIKeyYPYSFOHBDJXXJK-UHFFFAOYSA-N
XLogP0.90
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114951605
3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 105339952
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylfuran-2-carboxamide
CID 114949579
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 114946954
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 104630686
ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate
CID 114951750
N,N-diethyl-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026164
5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide
CID 107377151
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 114951434
3-amino-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114951120
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide
CID 114951401
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114951437

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide (CID 114951604) is N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)N(C)CC2(O)CCOCC2)o1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is YPYSFOHBDJXXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9-11(19-10(2)14-9)12(16)15(3)8-13(17)4-6-18-7-5-13/h17H,4-8H2,1-3H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 114951604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).