N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide

C16H20N2O4 — CID 110684744

IUPACN-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2oc(C)nc2C(C)C)cc1OC
InChIInChI=1S/C16H20N2O4/c1-9(2)14-15(22-10(3)17-14)16(19)18-11-6-7-12(20-4)13(8-11)21-5/h6-9H,1-5H3,(H,18,19)
InChIKeyUTLVMYZITCNJSI-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.38
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide

N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 110684744) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
PubChem CID110684744
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2oc(C)nc2C(C)C)cc1OC
InChIInChI=1S/C16H20N2O4/c1-9(2)14-15(22-10(3)17-14)16(19)18-11-6-7-12(20-4)13(8-11)21-5/h6-9H,1-5H3,(H,18,19)
InChIKeyUTLVMYZITCNJSI-UHFFFAOYSA-N
XLogP3.38
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684731
N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392915
N-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684758
N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110860667
N-(3,4-dimethoxyphenyl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702289
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684763
2-amino-N-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793227
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245318
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213
N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648403
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
(3,4-dimethoxyphenyl)urea
CID 21197430

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide (CID 110684744) is N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide is COc1ccc(NC(=O)c2oc(C)nc2C(C)C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The InChIKey is UTLVMYZITCNJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-9(2)14-15(22-10(3)17-14)16(19)18-11-6-7-12(20-4)13(8-11)21-5/h6-9H,1-5H3,(H,18,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110684744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).