N-propan-2-yl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C11H12N2O2S — CID 45107026

IUPACN-propan-2-yl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)NC(=O)c1ncoc1-c1cccs1
InChIInChI=1S/C11H12N2O2S/c1-7(2)13-11(14)9-10(15-6-12-9)8-4-3-5-16-8/h3-7H,1-2H3,(H,13,14)
InChIKeyHNKBIZMPSMVNJX-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.54
Rot. Bonds3

About N-propan-2-yl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-propan-2-yl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 45107026) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-propan-2-yl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID45107026
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-propan-2-yl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)NC(=O)c1ncoc1-c1cccs1
InChIInChI=1S/C11H12N2O2S/c1-7(2)13-11(14)9-10(15-6-12-9)8-4-3-5-16-8/h3-7H,1-2H3,(H,13,14)
InChIKeyHNKBIZMPSMVNJX-UHFFFAOYSA-N
XLogP2.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-propan-2-yl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 45107026) is N-propan-2-yl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-propan-2-yl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is CC(C)NC(=O)c1ncoc1-c1cccs1.
What is the InChIKey of N-propan-2-yl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is HNKBIZMPSMVNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7(2)13-11(14)9-10(15-6-12-9)8-4-3-5-16-8/h3-7H,1-2H3,(H,13,14).
What are the key properties of N-propan-2-yl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-propan-2-yl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45107026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).