[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-phenylcarbamate

C20H20ClN3O3 — CID 91057934

IUPAC[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)ON1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1
InChIInChI=1S/C20H20ClN3O3/c21-16-8-6-15(7-9-16)18-14-20(27-23-18)10-12-24(13-11-20)26-19(25)22-17-4-2-1-3-5-17/h1-9,14,23H,10-13H2,(H,22,25)
InChIKeyCKYNTTCCMNGRGE-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.21
Rot. Bonds3

About [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-phenylcarbamate

[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-phenylcarbamate (PubChem CID 91057934) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-phenylcarbamate
PubChem CID91057934
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)ON1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1
InChIInChI=1S/C20H20ClN3O3/c21-16-8-6-15(7-9-16)18-14-20(27-23-18)10-12-24(13-11-20)26-19(25)22-17-4-2-1-3-5-17/h1-9,14,23H,10-13H2,(H,22,25)
InChIKeyCKYNTTCCMNGRGE-UHFFFAOYSA-N
XLogP4.21
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2(3H)-Oxazolone, 4-(4-chlorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-
CID 3040757
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-4-methylene-3-phenyl-
CID 3077248
2(3H)-Oxazolone, 4-(4-chlorophenyl)-5-((4-phenyl-1-piperazinyl)methyl)-, monohydrochloride
CID 3078397
4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one
CID 3078398
Tert-butyl 4-[4-[(4-chlorophenyl)methylamino]phenyl]piperazine-1-carboxylate
CID 162652866
[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
CID 90707254
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90708567
1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 90740544
N-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90750811
[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
CID 90787751
[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-fluorophenyl)carbamate
CID 90872074
[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-[2-chloro-5-(trifluoromethyl)phenyl]carbamate
CID 90959442

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-phenylcarbamate?
The IUPAC name of [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-phenylcarbamate (CID 91057934) is [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-phenylcarbamate.
What is the SMILES notation for [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-phenylcarbamate?
The canonical SMILES for [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-phenylcarbamate is O=C(Nc1ccccc1)ON1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1.
What is the InChIKey of [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-phenylcarbamate?
The InChIKey is CKYNTTCCMNGRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c21-16-8-6-15(7-9-16)18-14-20(27-23-18)10-12-24(13-11-20)26-19(25)22-17-4-2-1-3-5-17/h1-9,14,23H,10-13H2,(H,22,25).
What are the key properties of [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-phenylcarbamate?
[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-phenylcarbamate has a molecular weight of 385.85 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-phenylcarbamate is sourced from PubChem (CID 91057934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).