N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C18H18N2O3S — CID 134054677

IUPACN-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C18H18N2O3S/c1-12(13-7-4-5-8-15(13)22-3)20(2)18(21)14-11-16(23-19-14)17-9-6-10-24-17/h4-12H,1-3H3
InChIKeyTYHJKGSIMFQIIP-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.24
Rot. Bonds5

About N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 134054677) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID134054677
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C18H18N2O3S/c1-12(13-7-4-5-8-15(13)22-3)20(2)18(21)14-11-16(23-19-14)17-9-6-10-24-17/h4-12H,1-3H3
InChIKeyTYHJKGSIMFQIIP-UHFFFAOYSA-N
XLogP4.24
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94237762
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134054629
N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305038
6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103889671
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
methyl 3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoate
CID 43422688
4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 51935853
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide
CID 134054458
(4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
CID 17011461
(E)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 32629215
N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 134054612
N-(1-hydroxypropan-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 43418627

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 134054677) is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is COc1ccccc1C(C)N(C)C(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is TYHJKGSIMFQIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12(13-7-4-5-8-15(13)22-3)20(2)18(21)14-11-16(23-19-14)17-9-6-10-24-17/h4-12H,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 134054677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).