N-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide

C20H26N2O5 — CID 45252502

IUPACN-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cc(C)ccc1OCc1nc(C(=O)NC2CCOC(C)(C)C2)co1
InChIInChI=1S/C20H26N2O5/c1-13-5-6-16(17(9-13)24-4)25-12-18-22-15(11-26-18)19(23)21-14-7-8-27-20(2,3)10-14/h5-6,9,11,14H,7-8,10,12H2,1-4H3,(H,21,23)
InChIKeyHHQWCUUTFHSDHW-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.26
Rot. Bonds6

About N-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide

N-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 45252502) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide
PubChem CID45252502
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC NameN-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cc(C)ccc1OCc1nc(C(=O)NC2CCOC(C)(C)C2)co1
InChIInChI=1S/C20H26N2O5/c1-13-5-6-16(17(9-13)24-4)25-12-18-22-15(11-26-18)19(23)21-14-7-8-27-20(2,3)10-14/h5-6,9,11,14H,7-8,10,12H2,1-4H3,(H,21,23)
InChIKeyHHQWCUUTFHSDHW-UHFFFAOYSA-N
XLogP3.26
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-2-[(2-methoxy-4-methylphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 26404586
2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42529733
[2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone
CID 95214719
3-bromo-N-(2,2-dimethyloxan-4-yl)-4-methoxybenzamide
CID 115563924
6-bromo-N-(2,2-dimethyloxan-4-yl)pyridine-2-carboxamide
CID 103890092
5-[(2-methoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 39363718
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 83039304
N-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
CID 42094986
N-(2,2-dimethyloxan-4-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104641994
N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
CID 115563926
6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide
CID 83033818
N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide
CID 83039941

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide (CID 45252502) is N-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide is COc1cc(C)ccc1OCc1nc(C(=O)NC2CCOC(C)(C)C2)co1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is HHQWCUUTFHSDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-13-5-6-16(17(9-13)24-4)25-12-18-22-15(11-26-18)19(23)21-14-7-8-27-20(2,3)10-14/h5-6,9,11,14H,7-8,10,12H2,1-4H3,(H,21,23).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide?
N-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45252502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).