7-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene

C14H21N3O2 — CID 134787573

IUPAC7-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCc1cc(CN2CCC3(CC(C(C)C)=NO3)C2)no1
InChIInChI=1S/C14H21N3O2/c1-10(2)13-7-14(19-16-13)4-5-17(9-14)8-12-6-11(3)18-15-12/h6,10H,4-5,7-9H2,1-3H3
InChIKeyDFIZAQZFHKQMCJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.36
Rot. Bonds3

About 7-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene

7-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene (PubChem CID 134787573) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 7-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name7-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene
PubChem CID134787573
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name7-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCc1cc(CN2CCC3(CC(C(C)C)=NO3)C2)no1
InChIInChI=1S/C14H21N3O2/c1-10(2)13-7-14(19-16-13)4-5-17(9-14)8-12-6-11(3)18-15-12/h6,10H,4-5,7-9H2,1-3H3
InChIKeyDFIZAQZFHKQMCJ-UHFFFAOYSA-N
XLogP2.36
TPSA50.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The IUPAC name of 7-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene (CID 134787573) is 7-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene.
What is the SMILES notation for 7-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The canonical SMILES for 7-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene is Cc1cc(CN2CCC3(CC(C(C)C)=NO3)C2)no1.
What is the InChIKey of 7-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The InChIKey is DFIZAQZFHKQMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)13-7-14(19-16-13)4-5-17(9-14)8-12-6-11(3)18-15-12/h6,10H,4-5,7-9H2,1-3H3.
What are the key properties of 7-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
7-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene has a molecular weight of 263.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene is sourced from PubChem (CID 134787573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).