N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide

C18H26N2O3 — CID 91760024

IUPACN-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)o1
InChIInChI=1S/C18H26N2O3/c1-3-13-19-10(2)16(23-13)18(21)20-15-12-8-9-22-17(12)14(15)11-6-4-5-7-11/h11-12,14-15,17H,3-9H2,1-2H3,(H,20,21)/t12-,14+,15-,17-/m0/s1
InChIKeyCNEKOAXBCLSZFW-GUSZCTEKSA-N
MW318.42 g/mol
LogP2.87
Rot. Bonds4

About N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide

N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 91760024) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID91760024
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)o1
InChIInChI=1S/C18H26N2O3/c1-3-13-19-10(2)16(23-13)18(21)20-15-12-8-9-22-17(12)14(15)11-6-4-5-7-11/h11-12,14-15,17H,3-9H2,1-2H3,(H,20,21)/t12-,14+,15-,17-/m0/s1
InChIKeyCNEKOAXBCLSZFW-GUSZCTEKSA-N
XLogP2.87
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide (CID 91760024) is N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)o1.
What is the InChIKey of N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is CNEKOAXBCLSZFW-GUSZCTEKSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-13-19-10(2)16(23-13)18(21)20-15-12-8-9-22-17(12)14(15)11-6-4-5-7-11/h11-12,14-15,17H,3-9H2,1-2H3,(H,20,21)/t12-,14+,15-,17-/m0/s1.
What are the key properties of N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91760024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).