N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C13H15ClN2O2S — CID 39271926

IUPACN-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)N[C@H](C)c1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2O2S/c1-7-10(9(3)18-16-7)6-13(17)15-8(2)11-4-5-12(14)19-11/h4-5,8H,6H2,1-3H3,(H,15,17)/t8-/m1/s1
InChIKeyOYFAQSQRXXFZJD-MRVPVSSYSA-N
MW298.80 g/mol
LogP3.43
Rot. Bonds4

About N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 39271926) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID39271926
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC NameN-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)N[C@H](C)c1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2O2S/c1-7-10(9(3)18-16-7)6-13(17)15-8(2)11-4-5-12(14)19-11/h4-5,8H,6H2,1-3H3,(H,15,17)/t8-/m1/s1
InChIKeyOYFAQSQRXXFZJD-MRVPVSSYSA-N
XLogP3.43
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604497
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 47008758
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 46575789
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide
CID 91888242
N-[1-(4-bromophenyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 55717037
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 119525893
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 18200774
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200881
(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid
CID 78975585
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103751044
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 39271926) is N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)N[C@H](C)c1ccc(Cl)s1.
What is the InChIKey of N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is OYFAQSQRXXFZJD-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-7-10(9(3)18-16-7)6-13(17)15-8(2)11-4-5-12(14)19-11/h4-5,8H,6H2,1-3H3,(H,15,17)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 298.80 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 39271926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).