N-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide

C18H18N2O3S — CID 97054031

IUPACN-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)no1
InChIInChI=1S/C18H18N2O3S/c1-13-10-15(19-23-13)18(22)20(11-14-6-3-2-4-7-14)12-16(21)17-8-5-9-24-17/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1
InChIKeyIXAHNHYRZHDPIA-MRXNPFEDSA-N
MW342.42 g/mol
LogP3.42
Rot. Bonds6

About N-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 97054031) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID97054031
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)no1
InChIInChI=1S/C18H18N2O3S/c1-13-10-15(19-23-13)18(22)20(11-14-6-3-2-4-7-14)12-16(21)17-8-5-9-24-17/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1
InChIKeyIXAHNHYRZHDPIA-MRXNPFEDSA-N
XLogP3.42
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-benzyl-N-(2-bromoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 80661970
(2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119342483
N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51073091
(3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide
CID 97054048
[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 90603452
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-3-piperidin-4-ylbutanamide
CID 119816685
N-benzyl-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-6-methylpyridine-2-carboxamide
CID 97011240
(1R)-3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 69048767
3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 42867669
3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 119816673
N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8991000

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 97054031) is N-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)no1.
What is the InChIKey of N-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is IXAHNHYRZHDPIA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-10-15(19-23-13)18(22)20(11-14-6-3-2-4-7-14)12-16(21)17-8-5-9-24-17/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1.
What are the key properties of N-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 97054031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).