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

C12H16N2O2 — CID 146100619

IUPACN-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1noc2c1CCCCC2)C1CC1
InChIInChI=1S/C12H16N2O2/c15-12(8-6-7-8)13-11-9-4-2-1-3-5-10(9)16-14-11/h8H,1-7H2,(H,13,14,15)
InChIKeyWNXNBWGMOMGPHZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.29
Rot. Bonds2

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

N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)cyclopropanecarboxamide (PubChem CID 146100619) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)cyclopropanecarboxamide
PubChem CID146100619
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1noc2c1CCCCC2)C1CC1
InChIInChI=1S/C12H16N2O2/c15-12(8-6-7-8)13-11-9-4-2-1-3-5-10(9)16-14-11/h8H,1-7H2,(H,13,14,15)
InChIKeyWNXNBWGMOMGPHZ-UHFFFAOYSA-N
XLogP2.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)cyclopropanecarboxamide (CID 146100619) is N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)cyclopropanecarboxamide is O=C(Nc1noc2c1CCCCC2)C1CC1.
What is the InChIKey of N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)cyclopropanecarboxamide?
The InChIKey is WNXNBWGMOMGPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(8-6-7-8)13-11-9-4-2-1-3-5-10(9)16-14-11/h8H,1-7H2,(H,13,14,15).
What are the key properties of N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)cyclopropanecarboxamide?
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)cyclopropanecarboxamide has a molecular weight of 220.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 146100619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).