1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol

C14H15ClN2O3 — CID 106672993

IUPAC1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol
SMILESOC1CN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1O
InChIInChI=1S/C14H15ClN2O3/c15-10-3-1-9(2-4-10)14-16-11(8-20-14)5-17-6-12(18)13(19)7-17/h1-4,8,12-13,18-19H,5-7H2
InChIKeyUDMARGSVUPSMDE-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.53
Rot. Bonds3

About 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol

1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol (PubChem CID 106672993) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol
PubChem CID106672993
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol
SMILESOC1CN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1O
InChIInChI=1S/C14H15ClN2O3/c15-10-3-1-9(2-4-10)14-16-11(8-20-14)5-17-6-12(18)13(19)7-17/h1-4,8,12-13,18-19H,5-7H2
InChIKeyUDMARGSVUPSMDE-UHFFFAOYSA-N
XLogP1.53
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
CID 79411338
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63031516
1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol
CID 55169599
2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 119924520
2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
CID 73387385
1-[1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 119914648
2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 51104412
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol
CID 114681165
2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618913
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanone;hydrochloride
CID 120658276
4-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63720352
(3S)-1-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124703265

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol (CID 106672993) is 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol is OC1CN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1O.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol?
The InChIKey is UDMARGSVUPSMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c15-10-3-1-9(2-4-10)14-16-11(8-20-14)5-17-6-12(18)13(19)7-17/h1-4,8,12-13,18-19H,5-7H2.
What are the key properties of 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol?
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol has a molecular weight of 294.74 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106672993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).