(1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol

C15H22N2O3 — CID 10084954

IUPAC(1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol
SMILESCOc1cccc(C2=NO[C@H]([C@@H](O)CNC(C)C)C2)c1
InChIInChI=1S/C15H22N2O3/c1-10(2)16-9-14(18)15-8-13(17-20-15)11-5-4-6-12(7-11)19-3/h4-7,10,14-16,18H,8-9H2,1-3H3/t14-,15-/m0/s1
InChIKeyGLHNXRQXNXQRJU-GJZGRUSLSA-N
MW278.35 g/mol
LogP1.55
Rot. Bonds6

About (1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol

(1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol (PubChem CID 10084954) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol
PubChem CID10084954
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol
SMILESCOc1cccc(C2=NO[C@H]([C@@H](O)CNC(C)C)C2)c1
InChIInChI=1S/C15H22N2O3/c1-10(2)16-9-14(18)15-8-13(17-20-15)11-5-4-6-12(7-11)19-3/h4-7,10,14-16,18H,8-9H2,1-3H3/t14-,15-/m0/s1
InChIKeyGLHNXRQXNXQRJU-GJZGRUSLSA-N
XLogP1.55
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol?
The IUPAC name of (1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol (CID 10084954) is (1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for (1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol?
The canonical SMILES for (1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol is COc1cccc(C2=NO[C@H]([C@@H](O)CNC(C)C)C2)c1.
What is the InChIKey of (1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol?
The InChIKey is GLHNXRQXNXQRJU-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)16-9-14(18)15-8-13(17-20-15)11-5-4-6-12(7-11)19-3/h4-7,10,14-16,18H,8-9H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol?
(1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol has a molecular weight of 278.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 10084954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).