5-(5-chlorothiophen-2-yl)-N-(1-hydroxybutan-2-yl)-1,2-oxazole-3-carboxamide

C12H13ClN2O3S — CID 110890141

IUPAC5-(5-chlorothiophen-2-yl)-N-(1-hydroxybutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCC(CO)NC(=O)c1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C12H13ClN2O3S/c1-2-7(6-16)14-12(17)8-5-9(18-15-8)10-3-4-11(13)19-10/h3-5,7,16H,2,6H2,1H3,(H,14,17)
InChIKeyXLYAULDUVCZPAQ-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.56
Rot. Bonds5

About 5-(5-chlorothiophen-2-yl)-N-(1-hydroxybutan-2-yl)-1,2-oxazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-N-(1-hydroxybutan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 110890141) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-(1-hydroxybutan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-(1-hydroxybutan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID110890141
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name5-(5-chlorothiophen-2-yl)-N-(1-hydroxybutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCC(CO)NC(=O)c1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C12H13ClN2O3S/c1-2-7(6-16)14-12(17)8-5-9(18-15-8)10-3-4-11(13)19-10/h3-5,7,16H,2,6H2,1H3,(H,14,17)
InChIKeyXLYAULDUVCZPAQ-UHFFFAOYSA-N
XLogP2.56
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 119585912
5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide
CID 111433417
6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 62239936
6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide
CID 61041980
5-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 103920023
5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 120943202
2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid
CID 120581040
5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119510511
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
N-(1-hydroxypropan-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 43418627
N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104981056
N-[2-(aminomethyl)cyclohexyl]-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119609678

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(1-hydroxybutan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(1-hydroxybutan-2-yl)-1,2-oxazole-3-carboxamide (CID 110890141) is 5-(5-chlorothiophen-2-yl)-N-(1-hydroxybutan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-(1-hydroxybutan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-(1-hydroxybutan-2-yl)-1,2-oxazole-3-carboxamide is CCC(CO)NC(=O)c1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-(1-hydroxybutan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is XLYAULDUVCZPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-2-7(6-16)14-12(17)8-5-9(18-15-8)10-3-4-11(13)19-10/h3-5,7,16H,2,6H2,1H3,(H,14,17).
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-(1-hydroxybutan-2-yl)-1,2-oxazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-N-(1-hydroxybutan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 300.77 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-(1-hydroxybutan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110890141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).