N-[2-(cyclopropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C13H13N3O3S — CID 18163928

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(CNC(=O)c1cc(-c2cccs2)on1)NC1CC1
InChIInChI=1S/C13H13N3O3S/c17-12(15-8-3-4-8)7-14-13(18)9-6-10(19-16-9)11-2-1-5-20-11/h1-2,5-6,8H,3-4,7H2,(H,14,18)(H,15,17)
InChIKeyXXYRCMHLASBTTJ-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.41
Rot. Bonds5

About N-[2-(cyclopropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[2-(cyclopropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 18163928) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID18163928
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(CNC(=O)c1cc(-c2cccs2)on1)NC1CC1
InChIInChI=1S/C13H13N3O3S/c17-12(15-8-3-4-8)7-14-13(18)9-6-10(19-16-9)11-2-1-5-20-11/h1-2,5-6,8H,3-4,7H2,(H,14,18)(H,15,17)
InChIKeyXXYRCMHLASBTTJ-UHFFFAOYSA-N
XLogP1.41
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 18163928) is N-[2-(cyclopropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(CNC(=O)c1cc(-c2cccs2)on1)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is XXYRCMHLASBTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c17-12(15-8-3-4-8)7-14-13(18)9-6-10(19-16-9)11-2-1-5-20-11/h1-2,5-6,8H,3-4,7H2,(H,14,18)(H,15,17).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 18163928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).