4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole

C12H16N4O4 — CID 174640273

IUPAC4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole
SMILESC1=NCCO1.C1=NOCC1.c1cnoc1.c1cocn1
InChIInChI=1S/C3H5NO.C3H3NO.C3H5NO.C3H3NO/c2*1-2-5-3-4-1;2*1-2-4-5-3-1/h3H,1-2H2;1-3H;2H,1,3H2;1-3H
InChIKeyCQOBFJBSFRGYLK-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.79
Rot. Bonds

About 4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole

4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole (PubChem CID 174640273) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole.

Molecular Properties

Compound Name4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole
PubChem CID174640273
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole
SMILESC1=NCCO1.C1=NOCC1.c1cnoc1.c1cocn1
InChIInChI=1S/C3H5NO.C3H3NO.C3H5NO.C3H3NO/c2*1-2-5-3-4-1;2*1-2-4-5-3-1/h3H,1-2H2;1-3H;2H,1,3H2;1-3H
InChIKeyCQOBFJBSFRGYLK-UHFFFAOYSA-N
XLogP1.79
TPSA95.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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Ethane;5-methyl-1,2-oxazole;1,3-oxazole
CID 155692895
Cyclobutene;1,2-oxazole;1,3-oxazole;thiepine
CID 157238953
oxaphosphol-2-ium;2H-oxazine;1,2-oxazole;1,3-oxazole
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1,2-Oxazole;1,3-oxazole;pyrazine
CID 159200405
1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrrole
CID 159308442
1,3-Dioxolane;1,2-oxazole;1,3-oxazole
CID 159463833
Imidazolidine;1,2-oxazole;1,3-oxazole
CID 159821098
1,2-Oxazole;1,3-oxazole;thiepine
CID 160023692
4,5-Dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole;1,3-oxazolidine
CID 160296850
4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;2,3-dihydro-1H-pyrazole;1,2-oxazole;1,3-oxazole
CID 160328430

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole?
The IUPAC name of 4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole (CID 174640273) is 4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole.
What is the SMILES notation for 4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole?
The canonical SMILES for 4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole is C1=NCCO1.C1=NOCC1.c1cnoc1.c1cocn1.
What is the InChIKey of 4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole?
The InChIKey is CQOBFJBSFRGYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.C3H3NO.C3H5NO.C3H3NO/c2*1-2-5-3-4-1;2*1-2-4-5-3-1/h3H,1-2H2;1-3H;2H,1,3H2;1-3H.
What are the key properties of 4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole?
4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole has a molecular weight of 280.28 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,2-oxazole;4,5-dihydro-1,3-oxazole;1,2-oxazole;1,3-oxazole is sourced from PubChem (CID 174640273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).