N-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide

C15H16N2O3S — CID 111596930

IUPACN-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESO=C(NCC1(O)CCSC1)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C15H16N2O3S/c18-14(17-8-15(19)5-6-21-9-15)12-3-1-11(2-4-12)13-7-16-10-20-13/h1-4,7,10,19H,5-6,8-9H2,(H,17,18)
InChIKeyNHYNPMIUFZKWJF-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.94
Rot. Bonds4

About N-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide

N-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 111596930) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide
PubChem CID111596930
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESO=C(NCC1(O)CCSC1)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C15H16N2O3S/c18-14(17-8-15(19)5-6-21-9-15)12-3-1-11(2-4-12)13-7-16-10-20-13/h1-4,7,10,19H,5-6,8-9H2,(H,17,18)
InChIKeyNHYNPMIUFZKWJF-UHFFFAOYSA-N
XLogP1.94
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 111428596
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 95177148
N-[(3-hydroxythiolan-3-yl)methyl]-5-methylpyridine-3-carboxamide
CID 111596832
4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide
CID 47262158
N-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 111970532
3-bromo-N-[(3-hydroxythiolan-3-yl)methyl]-4-methylbenzamide
CID 111596827
2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide
CID 111597214
4-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]-3-methylbenzamide
CID 111596850
4-fluoro-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484978
N-[(3-hydroxythiolan-3-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 111698305
N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide
CID 166208940
N-[2-(methylamino)propyl]-4-(1,3-oxazol-5-yl)benzamide
CID 120826619

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide (CID 111596930) is N-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide is O=C(NCC1(O)CCSC1)c1ccc(-c2cnco2)cc1.
What is the InChIKey of N-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is NHYNPMIUFZKWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-14(17-8-15(19)5-6-21-9-15)12-3-1-11(2-4-12)13-7-16-10-20-13/h1-4,7,10,19H,5-6,8-9H2,(H,17,18).
What are the key properties of N-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide?
N-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 304.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 111596930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).