N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C15H18N2O4S — CID 111486232

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESO=C(Cc1coc(-c2cccs2)n1)NCC1(O)CCOCC1
InChIInChI=1S/C15H18N2O4S/c18-13(16-10-15(19)3-5-20-6-4-15)8-11-9-21-14(17-11)12-2-1-7-22-12/h1-2,7,9,19H,3-6,8,10H2,(H,16,18)
InChIKeyQERULWKHNSEGKP-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.60
Rot. Bonds5

About N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 111486232) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
PubChem CID111486232
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESO=C(Cc1coc(-c2cccs2)n1)NCC1(O)CCOCC1
InChIInChI=1S/C15H18N2O4S/c18-13(16-10-15(19)3-5-20-6-4-15)8-11-9-21-14(17-11)12-2-1-7-22-12/h1-2,7,9,19H,3-6,8,10H2,(H,16,18)
InChIKeyQERULWKHNSEGKP-UHFFFAOYSA-N
XLogP1.60
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
CID 120920453
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111463482
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
(2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119244415
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 111332922
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid
CID 119199569
1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea
CID 42930050
N-(2-amino-1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119613142
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111481185
N-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 75419987

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 111486232) is N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is O=C(Cc1coc(-c2cccs2)n1)NCC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is QERULWKHNSEGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c18-13(16-10-15(19)3-5-20-6-4-15)8-11-9-21-14(17-11)12-2-1-7-22-12/h1-2,7,9,19H,3-6,8,10H2,(H,16,18).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 322.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 111486232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).