N-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide

C14H16N2O4 — CID 53195130

IUPACN-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2nc(C)oc2C)cc(OC)c1
InChIInChI=1S/C14H16N2O4/c1-8-13(15-9(2)20-8)14(17)16-10-5-11(18-3)7-12(6-10)19-4/h5-7H,1-4H3,(H,16,17)
InChIKeyUTGMXEGFCTZZMQ-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.56
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide

N-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide (PubChem CID 53195130) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
PubChem CID53195130
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2nc(C)oc2C)cc(OC)c1
InChIInChI=1S/C14H16N2O4/c1-8-13(15-9(2)20-8)14(17)16-10-5-11(18-3)7-12(6-10)19-4/h5-7H,1-4H3,(H,16,17)
InChIKeyUTGMXEGFCTZZMQ-UHFFFAOYSA-N
XLogP2.56
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide (CID 53195130) is N-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide is COc1cc(NC(=O)c2nc(C)oc2C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is UTGMXEGFCTZZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-13(15-9(2)20-8)14(17)16-10-5-11(18-3)7-12(6-10)19-4/h5-7H,1-4H3,(H,16,17).
What are the key properties of N-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide?
N-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).