3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

C17H24ClN3O4 — CID 155502362

IUPAC3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESCCN1CC2(CCN(C(=O)CCc3cc(Cl)no3)CC2)OCCC1=O
InChIInChI=1S/C17H24ClN3O4/c1-2-20-12-17(24-10-5-16(20)23)6-8-21(9-7-17)15(22)4-3-13-11-14(18)19-25-13/h11H,2-10,12H2,1H3
InChIKeyRUWKDJUCKJHDMP-UHFFFAOYSA-N
MW369.85 g/mol
LogP1.89
Rot. Bonds4

About 3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (PubChem CID 155502362) has the molecular formula C17H24ClN3O4 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
PubChem CID155502362
Molecular FormulaC17H24ClN3O4
Molecular Weight369.85 g/mol
Exact Mass369.15
IUPAC Name3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESCCN1CC2(CCN(C(=O)CCc3cc(Cl)no3)CC2)OCCC1=O
InChIInChI=1S/C17H24ClN3O4/c1-2-20-12-17(24-10-5-16(20)23)6-8-21(9-7-17)15(22)4-3-13-11-14(18)19-25-13/h11H,2-10,12H2,1H3
InChIKeyRUWKDJUCKJHDMP-UHFFFAOYSA-N
XLogP1.89
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-7-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95724274
3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one
CID 135115850
(2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide
CID 125001654
(4aS,8aR)-6-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56894990
3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one
CID 164698982
3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155506647
(6S)-1-acetyl-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 124999845
(1S,5R)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-12-oxa-4,8-diazatricyclo[6.4.0.01,5]dodecan-7-one
CID 154819010
(9aS)-2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95144493
3-(2-chloro-6-fluorobenzoyl)-11-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 135108909
11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155497544
(3aS,6aR)-5-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
CID 163309800

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (CID 155502362) is 3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is CCN1CC2(CCN(C(=O)CCc3cc(Cl)no3)CC2)OCCC1=O.
What is the InChIKey of 3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The InChIKey is RUWKDJUCKJHDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O4/c1-2-20-12-17(24-10-5-16(20)23)6-8-21(9-7-17)15(22)4-3-13-11-14(18)19-25-13/h11H,2-10,12H2,1H3.
What are the key properties of 3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one has a molecular weight of 369.85 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 155502362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).