(4R)-3-(1,3-oxazol-2-yl)-4-propyl-1,3-oxazolidin-2-one

C9H12N2O3 — CID 174589750

IUPAC(4R)-3-(1,3-oxazol-2-yl)-4-propyl-1,3-oxazolidin-2-one
SMILESCCC[C@@H]1COC(=O)N1c1ncco1
InChIInChI=1S/C9H12N2O3/c1-2-3-7-6-14-9(12)11(7)8-10-4-5-13-8/h4-5,7H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyLABXSKXDMMDHOM-SSDOTTSWSA-N
MW196.21 g/mol
LogP1.80
Rot. Bonds3

About (4R)-3-(1,3-oxazol-2-yl)-4-propyl-1,3-oxazolidin-2-one

(4R)-3-(1,3-oxazol-2-yl)-4-propyl-1,3-oxazolidin-2-one (PubChem CID 174589750) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (4R)-3-(1,3-oxazol-2-yl)-4-propyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-(1,3-oxazol-2-yl)-4-propyl-1,3-oxazolidin-2-one
PubChem CID174589750
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(4R)-3-(1,3-oxazol-2-yl)-4-propyl-1,3-oxazolidin-2-one
SMILESCCC[C@@H]1COC(=O)N1c1ncco1
InChIInChI=1S/C9H12N2O3/c1-2-3-7-6-14-9(12)11(7)8-10-4-5-13-8/h4-5,7H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyLABXSKXDMMDHOM-SSDOTTSWSA-N
XLogP1.80
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one
CID 67034379
(4S)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one
CID 67034378
(4S)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-propyl-1,3-oxazolidin-2-one
CID 25028953
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-propyl-1,3-oxazolidin-2-one
CID 77275896
(4S)-3-(2-chloropyrimidin-4-yl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 89489980
4-(ethylamino)-3-pyrimidin-4-yl-1,3-oxazolidin-2-one
CID 90417995
(5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one
CID 10486942
3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one
CID 58234740
3-[2-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 175058879
3,4-didecyl-1,3-oxazolidin-2-one
CID 69088250
(4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 154960723
4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 115064054

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(1,3-oxazol-2-yl)-4-propyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-(1,3-oxazol-2-yl)-4-propyl-1,3-oxazolidin-2-one (CID 174589750) is (4R)-3-(1,3-oxazol-2-yl)-4-propyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-(1,3-oxazol-2-yl)-4-propyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-(1,3-oxazol-2-yl)-4-propyl-1,3-oxazolidin-2-one is CCC[C@@H]1COC(=O)N1c1ncco1.
What is the InChIKey of (4R)-3-(1,3-oxazol-2-yl)-4-propyl-1,3-oxazolidin-2-one?
The InChIKey is LABXSKXDMMDHOM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-3-7-6-14-9(12)11(7)8-10-4-5-13-8/h4-5,7H,2-3,6H2,1H3/t7-/m1/s1.
What are the key properties of (4R)-3-(1,3-oxazol-2-yl)-4-propyl-1,3-oxazolidin-2-one?
(4R)-3-(1,3-oxazol-2-yl)-4-propyl-1,3-oxazolidin-2-one has a molecular weight of 196.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(1,3-oxazol-2-yl)-4-propyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 174589750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).