(5R)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide

C8H9N3O2S — CID 1485147

IUPAC(5R)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
SMILESNNC(=O)[C@H]1CC(c2cccs2)=NO1
InChIInChI=1S/C8H9N3O2S/c9-10-8(12)6-4-5(11-13-6)7-2-1-3-14-7/h1-3,6H,4,9H2,(H,10,12)/t6-/m1/s1
InChIKeyFAKXLBGYKKNIBK-ZCFIWIBFSA-N
MW211.25 g/mol
LogP0.23
Rot. Bonds2

About (5R)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide

(5R)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide (PubChem CID 1485147) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is (5R)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound Name(5R)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
PubChem CID1485147
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name(5R)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
SMILESNNC(=O)[C@H]1CC(c2cccs2)=NO1
InChIInChI=1S/C8H9N3O2S/c9-10-8(12)6-4-5(11-13-6)7-2-1-3-14-7/h1-3,6H,4,9H2,(H,10,12)/t6-/m1/s1
InChIKeyFAKXLBGYKKNIBK-ZCFIWIBFSA-N
XLogP0.23
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-[(3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]urea
CID 3815623
3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide
CID 14998678
(5R)-3-(2-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302303
(5R)-5-(chloromethyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
CID 99994091
(5R)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94191507
5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
CID 159019718
3-(4-nitrophenyl)-N-(2-thiophen-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 11958541
5-propylsulfanyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
CID 166063629
3-(4-methoxyphenyl)-N-(3-thiophen-2-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 171133442
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
(5R)-3-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503886
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanehydrazide
CID 63591351

Frequently Asked Questions

What is the IUPAC name of (5R)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide?
The IUPAC name of (5R)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide (CID 1485147) is (5R)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for (5R)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for (5R)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide is NNC(=O)[C@H]1CC(c2cccs2)=NO1.
What is the InChIKey of (5R)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide?
The InChIKey is FAKXLBGYKKNIBK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9N3O2S/c9-10-8(12)6-4-5(11-13-6)7-2-1-3-14-7/h1-3,6H,4,9H2,(H,10,12)/t6-/m1/s1.
What are the key properties of (5R)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide?
(5R)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide has a molecular weight of 211.25 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 1485147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).