methyl (5R)-3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

C9H13NO5 — CID 1403905

IUPACmethyl (5R)-3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)[C@H]1CC(CC2OCCO2)=NO1
InChIInChI=1S/C9H13NO5/c1-12-9(11)7-4-6(10-15-7)5-8-13-2-3-14-8/h7-8H,2-5H2,1H3/t7-/m1/s1
InChIKeyMUTGCNLEIZZHNU-SSDOTTSWSA-N
MW215.20 g/mol
LogP0.07
Rot. Bonds3

About methyl (5R)-3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

methyl (5R)-3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 1403905) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is methyl (5R)-3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl (5R)-3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID1403905
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namemethyl (5R)-3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)[C@H]1CC(CC2OCCO2)=NO1
InChIInChI=1S/C9H13NO5/c1-12-9(11)7-4-6(10-15-7)5-8-13-2-3-14-8/h7-8H,2-5H2,1H3/t7-/m1/s1
InChIKeyMUTGCNLEIZZHNU-SSDOTTSWSA-N
XLogP0.07
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(cyclopropylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 137407928
methyl 3-(3-acetyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 23264624
ethyl 3-(aminomethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate;hydrochloride
CID 163398820
2-[4-(5-methoxycarbonyl-4,5-dihydro-1,2-oxazol-3-yl)phenoxy]acetic acid
CID 15440082
methyl 3-(4-methylphenyl)sulfonyl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 175653410
methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 89070674
methyl 1,3-dioxolane-2-carboxylate
CID 11815392
methyl 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 15709351
methyl 3-(3-phenyl-1-trimethylsilyloxypropyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 102012082
(E)-3-[4-[2-[4-(5-methoxycarbonyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-2-oxoacetyl]phenyl]prop-2-enoic acid
CID 70250506
methyl (2R,4R)-4-fluorooxane-2-carboxylate
CID 45090783
1-(3-pentyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone
CID 13031961

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl (5R)-3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 1403905) is methyl (5R)-3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl (5R)-3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl (5R)-3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is COC(=O)[C@H]1CC(CC2OCCO2)=NO1.
What is the InChIKey of methyl (5R)-3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is MUTGCNLEIZZHNU-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13NO5/c1-12-9(11)7-4-6(10-15-7)5-8-13-2-3-14-8/h7-8H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of methyl (5R)-3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
methyl (5R)-3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 215.20 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 1403905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).