3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide

C14H18N2O3S — CID 103686148

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
SMILESCc1noc(C)c1CCC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C14H18N2O3S/c1-9-12(10(2)19-16-9)3-4-14(18)15-7-13(17)11-5-6-20-8-11/h5-6,8,13,17H,3-4,7H2,1-2H3,(H,15,18)
InChIKeyFFQCKDSUDDGZLQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.14
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide (PubChem CID 103686148) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
PubChem CID103686148
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
SMILESCc1noc(C)c1CCC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C14H18N2O3S/c1-9-12(10(2)19-16-9)3-4-14(18)15-7-13(17)11-5-6-20-8-11/h5-6,8,13,17H,3-4,7H2,1-2H3,(H,15,18)
InChIKeyFFQCKDSUDDGZLQ-UHFFFAOYSA-N
XLogP2.14
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685342
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2S)-2-thiophen-3-ylpropyl]urea
CID 97030505
N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110833015
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 102914904
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylamino)propyl]propanamide
CID 120828813
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65031474
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 111441196
3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 103686344
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide (CID 103686148) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide is Cc1noc(C)c1CCC(=O)NCC(O)c1ccsc1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The InChIKey is FFQCKDSUDDGZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9-12(10(2)19-16-9)3-4-14(18)15-7-13(17)11-5-6-20-8-11/h5-6,8,13,17H,3-4,7H2,1-2H3,(H,15,18).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide has a molecular weight of 294.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 103686148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).