3-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)oxane-4-carboxamide

C15H22N2O3 — CID 146100617

IUPAC3-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)oxane-4-carboxamide
SMILESCC1COCCC1C(=O)Nc1noc2c1CCCCC2
InChIInChI=1S/C15H22N2O3/c1-10-9-19-8-7-11(10)15(18)16-14-12-5-3-2-4-6-13(12)20-17-14/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyQIFNBEAPDIUYJZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.55
Rot. Bonds2

About 3-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)oxane-4-carboxamide

3-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)oxane-4-carboxamide (PubChem CID 146100617) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)oxane-4-carboxamide
PubChem CID146100617
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)oxane-4-carboxamide
SMILESCC1COCCC1C(=O)Nc1noc2c1CCCCC2
InChIInChI=1S/C15H22N2O3/c1-10-9-19-8-7-11(10)15(18)16-14-12-5-3-2-4-6-13(12)20-17-14/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyQIFNBEAPDIUYJZ-UHFFFAOYSA-N
XLogP2.55
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)oxane-4-carboxamide?
The IUPAC name of 3-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)oxane-4-carboxamide (CID 146100617) is 3-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)oxane-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)oxane-4-carboxamide?
The canonical SMILES for 3-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)oxane-4-carboxamide is CC1COCCC1C(=O)Nc1noc2c1CCCCC2.
What is the InChIKey of 3-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)oxane-4-carboxamide?
The InChIKey is QIFNBEAPDIUYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-9-19-8-7-11(10)15(18)16-14-12-5-3-2-4-6-13(12)20-17-14/h10-11H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 3-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)oxane-4-carboxamide?
3-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)oxane-4-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)oxane-4-carboxamide is sourced from PubChem (CID 146100617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).