ethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one

C10H15NO3 — CID 177320496

IUPACethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one
SMILESC=Cc1oc(=O)[nH]c1/C=C\CO.CC
InChIInChI=1S/C8H9NO3.C2H6/c1-2-7-6(4-3-5-10)9-8(11)12-7;1-2/h2-4,10H,1,5H2,(H,9,11);1-2H3/b4-3-;
InChIKeyPLASPORASNKRGU-LNKPDPKZSA-N
MW197.23 g/mol
LogP1.64
Rot. Bonds3

About ethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one

ethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one (PubChem CID 177320496) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Nameethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one
PubChem CID177320496
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one
SMILESC=Cc1oc(=O)[nH]c1/C=C\CO.CC
InChIInChI=1S/C8H9NO3.C2H6/c1-2-7-6(4-3-5-10)9-8(11)12-7;1-2/h2-4,10H,1,5H2,(H,9,11);1-2H3/b4-3-;
InChIKeyPLASPORASNKRGU-LNKPDPKZSA-N
XLogP1.64
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane;molecular hydrogen
CID 144524396
4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane
CID 142057788
4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one
CID 142057789
3-(3,5-dimethyl-1H-pyrrol-2-yl)prop-2-en-1-ol
CID 169454436
(E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol
CID 106889667
6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione
CID 129237383
ethane;5-ethenyl-1-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 169131202
2-ethenyl-5-methyl-3,4-bis[(Z)-prop-1-enyl]furan
CID 142510186
3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one
CID 143693552
2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one
CID 164603451
5-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one
CID 169454229
ethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate
CID 10631006

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one?
The IUPAC name of ethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one (CID 177320496) is ethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one.
What is the SMILES notation for ethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one?
The canonical SMILES for ethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one is C=Cc1oc(=O)[nH]c1/C=C\CO.CC.
What is the InChIKey of ethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one?
The InChIKey is PLASPORASNKRGU-LNKPDPKZSA-N. The full InChI is InChI=1S/C8H9NO3.C2H6/c1-2-7-6(4-3-5-10)9-8(11)12-7;1-2/h2-4,10H,1,5H2,(H,9,11);1-2H3/b4-3-;.
What are the key properties of ethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one?
ethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one has a molecular weight of 197.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-4-[(Z)-3-hydroxyprop-1-enyl]-3H-1,3-oxazol-2-one is sourced from PubChem (CID 177320496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).