N-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C14H16FN3O2 — CID 134078676

IUPACN-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1=NOC2(CCCNC2)C1
InChIInChI=1S/C14H16FN3O2/c15-10-4-1-2-5-11(10)17-13(19)12-8-14(20-18-12)6-3-7-16-9-14/h1-2,4-5,16H,3,6-9H2,(H,17,19)
InChIKeyPWKIJSZQEKZLAB-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.66
Rot. Bonds2

About N-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

N-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 134078676) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID134078676
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1=NOC2(CCCNC2)C1
InChIInChI=1S/C14H16FN3O2/c15-10-4-1-2-5-11(10)17-13(19)12-8-14(20-18-12)6-3-7-16-9-14/h1-2,4-5,16H,3,6-9H2,(H,17,19)
InChIKeyPWKIJSZQEKZLAB-UHFFFAOYSA-N
XLogP1.66
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 90755002
(5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97490819
N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 167807743
N-cyclobutyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134069854
N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride
CID 67393220
N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691420
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 63132643
(5S)-N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051970
1-(1-carbamothioylcyclopentyl)-3-(2-fluorophenyl)urea
CID 61122214
N-(2-fluorophenyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91902182
2-(1-aminocyclopentyl)-N-(2-fluorophenyl)acetamide
CID 64685138

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 134078676) is N-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(Nc1ccccc1F)C1=NOC2(CCCNC2)C1.
What is the InChIKey of N-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is PWKIJSZQEKZLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-10-4-1-2-5-11(10)17-13(19)12-8-14(20-18-12)6-3-7-16-9-14/h1-2,4-5,16H,3,6-9H2,(H,17,19).
What are the key properties of N-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
N-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 134078676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).