N-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

C14H20N2O2 — CID 5128816

IUPACN-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1noc2c1CCCCC2
InChIInChI=1S/C14H20N2O2/c17-14(15-10-6-4-5-7-10)13-11-8-2-1-3-9-12(11)18-16-13/h10H,1-9H2,(H,15,17)
InChIKeyRKJAKQXVMRPJJT-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.62
Rot. Bonds2

About N-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

N-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (PubChem CID 5128816) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
PubChem CID5128816
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1noc2c1CCCCC2
InChIInChI=1S/C14H20N2O2/c17-14(15-10-6-4-5-7-10)13-11-8-2-1-3-9-12(11)18-16-13/h10H,1-9H2,(H,15,17)
InChIKeyRKJAKQXVMRPJJT-UHFFFAOYSA-N
XLogP2.62
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (CID 5128816) is N-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is O=C(NC1CCCC1)c1noc2c1CCCCC2.
What is the InChIKey of N-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The InChIKey is RKJAKQXVMRPJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(15-10-6-4-5-7-10)13-11-8-2-1-3-9-12(11)18-16-13/h10H,1-9H2,(H,15,17).
What are the key properties of N-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
N-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 5128816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).