N-(3-tert-butyl-1,2-oxazol-5-yl)-2,4-dimethoxybenzamide

C16H20N2O4 — CID 13229304

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(C)(C)C)no2)c(OC)c1
InChIInChI=1S/C16H20N2O4/c1-16(2,3)13-9-14(22-18-13)17-15(19)11-7-6-10(20-4)8-12(11)21-5/h6-9H,1-5H3,(H,17,19)
InChIKeyDOQMQRSMHAHDKY-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.24
Rot. Bonds4

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2,4-dimethoxybenzamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2,4-dimethoxybenzamide (PubChem CID 13229304) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2,4-dimethoxybenzamide
PubChem CID13229304
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(C)(C)C)no2)c(OC)c1
InChIInChI=1S/C16H20N2O4/c1-16(2,3)13-9-14(22-18-13)17-15(19)11-7-6-10(20-4)8-12(11)21-5/h6-9H,1-5H3,(H,17,19)
InChIKeyDOQMQRSMHAHDKY-UHFFFAOYSA-N
XLogP3.24
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2,4-dimethoxybenzamide (CID 13229304) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(C(C)(C)C)no2)c(OC)c1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2,4-dimethoxybenzamide?
The InChIKey is DOQMQRSMHAHDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-16(2,3)13-9-14(22-18-13)17-15(19)11-7-6-10(20-4)8-12(11)21-5/h6-9H,1-5H3,(H,17,19).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2,4-dimethoxybenzamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2,4-dimethoxybenzamide has a molecular weight of 304.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 13229304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).