N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C18H23N3O3 — CID 71992151

IUPACN-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCCc1nc2cc(NC(=O)N3CCC4(CCOCC4)C3)ccc2o1
InChIInChI=1S/C18H23N3O3/c1-2-16-20-14-11-13(3-4-15(14)24-16)19-17(22)21-8-5-18(12-21)6-9-23-10-7-18/h3-4,11H,2,5-10,12H2,1H3,(H,19,22)
InChIKeyXGPQFVIRRBBMRA-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.42
Rot. Bonds2

About N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 71992151) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID71992151
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCCc1nc2cc(NC(=O)N3CCC4(CCOCC4)C3)ccc2o1
InChIInChI=1S/C18H23N3O3/c1-2-16-20-14-11-13(3-4-15(14)24-16)19-17(22)21-8-5-18(12-21)6-9-23-10-7-18/h3-4,11H,2,5-10,12H2,1H3,(H,19,22)
InChIKeyXGPQFVIRRBBMRA-UHFFFAOYSA-N
XLogP3.42
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079827
(3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95771355
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949
N-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide
CID 127934447
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119290757
2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide
CID 126788335
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 71941676
(2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide
CID 96997193
1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119725962
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
(2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
CID 94194100
N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71992230

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 71992151) is N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is CCc1nc2cc(NC(=O)N3CCC4(CCOCC4)C3)ccc2o1.
What is the InChIKey of N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is XGPQFVIRRBBMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-16-20-14-11-13(3-4-15(14)24-16)19-17(22)21-8-5-18(12-21)6-9-23-10-7-18/h3-4,11H,2,5-10,12H2,1H3,(H,19,22).
What are the key properties of N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 71992151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).