N-(1-cyanocyclobutyl)-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

C15H15N3O2S — CID 51094656

IUPACN-(1-cyanocyclobutyl)-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)N(C)C1(C#N)CCC1
InChIInChI=1S/C15H15N3O2S/c1-10-12(17-13(20-10)11-5-3-8-21-11)14(19)18(2)15(9-16)6-4-7-15/h3,5,8H,4,6-7H2,1-2H3
InChIKeyRKCNUZNKHHRFTC-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.23
Rot. Bonds3

About N-(1-cyanocyclobutyl)-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-(1-cyanocyclobutyl)-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 51094656) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(1-cyanocyclobutyl)-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclobutyl)-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID51094656
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(1-cyanocyclobutyl)-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)N(C)C1(C#N)CCC1
InChIInChI=1S/C15H15N3O2S/c1-10-12(17-13(20-10)11-5-3-8-21-11)14(19)18(2)15(9-16)6-4-7-15/h3,5,8H,4,6-7H2,1-2H3
InChIKeyRKCNUZNKHHRFTC-UHFFFAOYSA-N
XLogP3.23
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclobutyl)-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1-cyanocyclobutyl)-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 51094656) is N-(1-cyanocyclobutyl)-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1-cyanocyclobutyl)-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1-cyanocyclobutyl)-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is Cc1oc(-c2cccs2)nc1C(=O)N(C)C1(C#N)CCC1.
What is the InChIKey of N-(1-cyanocyclobutyl)-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is RKCNUZNKHHRFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-12(17-13(20-10)11-5-3-8-21-11)14(19)18(2)15(9-16)6-4-7-15/h3,5,8H,4,6-7H2,1-2H3.
What are the key properties of N-(1-cyanocyclobutyl)-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-(1-cyanocyclobutyl)-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclobutyl)-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 51094656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).