N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

C18H26N2O3 — CID 156609400

IUPACN-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC2C3CCOC3C2C2CCCC2)on1
InChIInChI=1S/C18H26N2O3/c1-10(2)13-9-14(23-20-13)18(21)19-16-12-7-8-22-17(12)15(16)11-5-3-4-6-11/h9-12,15-17H,3-8H2,1-2H3,(H,19,21)
InChIKeyDXDVZDNXKHWRNB-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.12
Rot. Bonds4

About N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 156609400) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID156609400
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC2C3CCOC3C2C2CCCC2)on1
InChIInChI=1S/C18H26N2O3/c1-10(2)13-9-14(23-20-13)18(21)19-16-12-7-8-22-17(12)15(16)11-5-3-4-6-11/h9-12,15-17H,3-8H2,1-2H3,(H,19,21)
InChIKeyDXDVZDNXKHWRNB-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 156609400) is N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)NC2C3CCOC3C2C2CCCC2)on1.
What is the InChIKey of N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is DXDVZDNXKHWRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-10(2)13-9-14(23-20-13)18(21)19-16-12-7-8-22-17(12)15(16)11-5-3-4-6-11/h9-12,15-17H,3-8H2,1-2H3,(H,19,21).
What are the key properties of N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 156609400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).