N-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide

C16H20N2O3 — CID 54110516

IUPACN-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide
SMILESCOCc1oncc1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H20N2O3/c1-16(2,3)11-5-7-12(8-6-11)18-15(19)13-9-17-21-14(13)10-20-4/h5-9H,10H2,1-4H3,(H,18,19)
InChIKeyNGTPJAZHMDZOCG-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.37
Rot. Bonds4

About N-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide

N-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide (PubChem CID 54110516) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide
PubChem CID54110516
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide
SMILESCOCc1oncc1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H20N2O3/c1-16(2,3)11-5-7-12(8-6-11)18-15(19)13-9-17-21-14(13)10-20-4/h5-9H,10H2,1-4H3,(H,18,19)
InChIKeyNGTPJAZHMDZOCG-UHFFFAOYSA-N
XLogP3.37
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 19871639
5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
N-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide
CID 19439744
1-N,2-N,3-N-tris(4-tert-butylphenyl)benzene-1,2,3-tricarboxamide
CID 70017205
1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide
CID 67816317
N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46673190
N-(4-tert-butylphenyl)-2-(methylamino)benzamide
CID 60706403
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472
5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide
CID 43337152
N-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 2441877

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide (CID 54110516) is N-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide is COCc1oncc1C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is NGTPJAZHMDZOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(2,3)11-5-7-12(8-6-11)18-15(19)13-9-17-21-14(13)10-20-4/h5-9H,10H2,1-4H3,(H,18,19).
What are the key properties of N-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide?
N-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 54110516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).