N-(1,2-oxazol-3-yl)-5-propylthiophene-3-carboxamide

C11H12N2O2S — CID 17217748

IUPACN-(1,2-oxazol-3-yl)-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccon2)cs1
InChIInChI=1S/C11H12N2O2S/c1-2-3-9-6-8(7-16-9)11(14)12-10-4-5-15-13-10/h4-7H,2-3H2,1H3,(H,12,13,14)
InChIKeyCPBSLJUHEZSHAV-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.94
Rot. Bonds4

About N-(1,2-oxazol-3-yl)-5-propylthiophene-3-carboxamide

N-(1,2-oxazol-3-yl)-5-propylthiophene-3-carboxamide (PubChem CID 17217748) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-5-propylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-5-propylthiophene-3-carboxamide
PubChem CID17217748
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-(1,2-oxazol-3-yl)-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccon2)cs1
InChIInChI=1S/C11H12N2O2S/c1-2-3-9-6-8(7-16-9)11(14)12-10-4-5-15-13-10/h4-7H,2-3H2,1H3,(H,12,13,14)
InChIKeyCPBSLJUHEZSHAV-UHFFFAOYSA-N
XLogP2.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-5-propylthiophene-3-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-5-propylthiophene-3-carboxamide (CID 17217748) is N-(1,2-oxazol-3-yl)-5-propylthiophene-3-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-5-propylthiophene-3-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-5-propylthiophene-3-carboxamide is CCCc1cc(C(=O)Nc2ccon2)cs1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-5-propylthiophene-3-carboxamide?
The InChIKey is CPBSLJUHEZSHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-2-3-9-6-8(7-16-9)11(14)12-10-4-5-15-13-10/h4-7H,2-3H2,1H3,(H,12,13,14).
What are the key properties of N-(1,2-oxazol-3-yl)-5-propylthiophene-3-carboxamide?
N-(1,2-oxazol-3-yl)-5-propylthiophene-3-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-5-propylthiophene-3-carboxamide is sourced from PubChem (CID 17217748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).