1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-ethylamino]-3-methoxypropan-2-ol

C16H23ClN2O3 — CID 24714910

IUPAC1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-ethylamino]-3-methoxypropan-2-ol
SMILESCCN(CC(O)COC)CC1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C16H23ClN2O3/c1-3-19(9-14(20)11-21-2)10-15-8-16(18-22-15)12-4-6-13(17)7-5-12/h4-7,14-15,20H,3,8-11H2,1-2H3
InChIKeyYONBYFXSRTWHAK-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.16
Rot. Bonds8

About 1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-ethylamino]-3-methoxypropan-2-ol

1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-ethylamino]-3-methoxypropan-2-ol (PubChem CID 24714910) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-ethylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-ethylamino]-3-methoxypropan-2-ol
PubChem CID24714910
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-ethylamino]-3-methoxypropan-2-ol
SMILESCCN(CC(O)COC)CC1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C16H23ClN2O3/c1-3-19(9-14(20)11-21-2)10-15-8-16(18-22-15)12-4-6-13(17)7-5-12/h4-7,14-15,20H,3,8-11H2,1-2H3
InChIKeyYONBYFXSRTWHAK-UHFFFAOYSA-N
XLogP2.16
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-ethylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-ethylamino]-3-methoxypropan-2-ol (CID 24714910) is 1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-ethylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-ethylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-ethylamino]-3-methoxypropan-2-ol is CCN(CC(O)COC)CC1CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of 1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-ethylamino]-3-methoxypropan-2-ol?
The InChIKey is YONBYFXSRTWHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-3-19(9-14(20)11-21-2)10-15-8-16(18-22-15)12-4-6-13(17)7-5-12/h4-7,14-15,20H,3,8-11H2,1-2H3.
What are the key properties of 1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-ethylamino]-3-methoxypropan-2-ol?
1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-ethylamino]-3-methoxypropan-2-ol has a molecular weight of 326.82 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-ethylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 24714910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).