2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide

C14H15N3O3S — CID 46445892

IUPAC2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccccc1OCC1CCCO1
InChIInChI=1S/C14H15N3O3S/c18-13(16-14-17-15-9-21-14)11-5-1-2-6-12(11)20-8-10-4-3-7-19-10/h1-2,5-6,9-10H,3-4,7-8H2,(H,16,17,18)
InChIKeyMGYSWHVELAOJMD-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.35
Rot. Bonds5

About 2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide

2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 46445892) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID46445892
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccccc1OCC1CCCO1
InChIInChI=1S/C14H15N3O3S/c18-13(16-14-17-15-9-21-14)11-5-1-2-6-12(11)20-8-10-4-3-7-19-10/h1-2,5-6,9-10H,3-4,7-8H2,(H,16,17,18)
InChIKeyMGYSWHVELAOJMD-UHFFFAOYSA-N
XLogP2.35
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 18103402
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethoxy)benzamide
CID 24534944
N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 42923990
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
N-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide
CID 24535045
2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 43035749
2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46422005
methyl (E)-4-[[2-(oxolan-2-ylmethoxy)benzoyl]amino]but-2-enoate
CID 146076875
(2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid
CID 125152132

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 46445892) is 2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1ccccc1OCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is MGYSWHVELAOJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-13(16-14-17-15-9-21-14)11-5-1-2-6-12(11)20-8-10-4-3-7-19-10/h1-2,5-6,9-10H,3-4,7-8H2,(H,16,17,18).
What are the key properties of 2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide?
2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 305.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 46445892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).