N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C14H15N3O3S — CID 1246770

IUPACN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C14H15N3O3S/c1-6-10(7(2)20-17-6)13(19)16-14-11(12(15)18)8-4-3-5-9(8)21-14/h3-5H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyZSRMYALZOJVXGP-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.19
Rot. Bonds3

About N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 1246770) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID1246770
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C14H15N3O3S/c1-6-10(7(2)20-17-6)13(19)16-14-11(12(15)18)8-4-3-5-9(8)21-14/h3-5H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyZSRMYALZOJVXGP-UHFFFAOYSA-N
XLogP2.19
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 1246770) is N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2.
What is the InChIKey of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZSRMYALZOJVXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-6-10(7(2)20-17-6)13(19)16-14-11(12(15)18)8-4-3-5-9(8)21-14/h3-5H2,1-2H3,(H2,15,18)(H,16,19).
What are the key properties of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1246770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).