(3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone

C14H19N3O3 — CID 131684045

IUPAC(3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
SMILESC=CCN1CCC2(C1)CN(C(=O)c1cc(OC)no1)C2
InChIInChI=1S/C14H19N3O3/c1-3-5-16-6-4-14(8-16)9-17(10-14)13(18)11-7-12(19-2)15-20-11/h3,7H,1,4-6,8-10H2,2H3
InChIKeyXEDKLHCZFLZSKF-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.02
Rot. Bonds4

About (3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone

(3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone (PubChem CID 131684045) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
PubChem CID131684045
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
SMILESC=CCN1CCC2(C1)CN(C(=O)c1cc(OC)no1)C2
InChIInChI=1S/C14H19N3O3/c1-3-5-16-6-4-14(8-16)9-17(10-14)13(18)11-7-12(19-2)15-20-11/h3,7H,1,4-6,8-10H2,2H3
InChIKeyXEDKLHCZFLZSKF-UHFFFAOYSA-N
XLogP1.02
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3-methoxy-1,2-oxazol-5-yl)-(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 131681792
(4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573738
4-ethyl-9-(3-methoxy-1,2-oxazole-5-carbonyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 155858214
(3-methoxy-1,2-oxazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 90573958
methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate
CID 90573723
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 131689476
4-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methylpiperazine-1-sulfonamide
CID 138993831
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573953
[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 131681929
N-cyclobutyl-5-(3-methoxy-1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131683110
[(5R,9S)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 131681789
(3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone
CID 131696669

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The IUPAC name of (3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone (CID 131684045) is (3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone.
What is the SMILES notation for (3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The canonical SMILES for (3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone is C=CCN1CCC2(C1)CN(C(=O)c1cc(OC)no1)C2.
What is the InChIKey of (3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The InChIKey is XEDKLHCZFLZSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-5-16-6-4-14(8-16)9-17(10-14)13(18)11-7-12(19-2)15-20-11/h3,7H,1,4-6,8-10H2,2H3.
What are the key properties of (3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
(3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone has a molecular weight of 277.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 131684045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).