1-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

C18H24N2O3 — CID 13015322

IUPAC1-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCc1cc(/C=C/c2ccccc2OCC(O)CNC(C)C)on1
InChIInChI=1S/C18H24N2O3/c1-13(2)19-11-16(21)12-22-18-7-5-4-6-15(18)8-9-17-10-14(3)20-23-17/h4-10,13,16,19,21H,11-12H2,1-3H3/b9-8+
InChIKeyOMVZQQKRTMGAPQ-CMDGGOBGSA-N
MW316.40 g/mol
LogP2.89
Rot. Bonds8

About 1-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

1-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 13015322) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID13015322
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCc1cc(/C=C/c2ccccc2OCC(O)CNC(C)C)on1
InChIInChI=1S/C18H24N2O3/c1-13(2)19-11-16(21)12-22-18-7-5-4-6-15(18)8-9-17-10-14(3)20-23-17/h4-10,13,16,19,21H,11-12H2,1-3H3/b9-8+
InChIKeyOMVZQQKRTMGAPQ-CMDGGOBGSA-N
XLogP2.89
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 13015322) is 1-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol is Cc1cc(/C=C/c2ccccc2OCC(O)CNC(C)C)on1.
What is the InChIKey of 1-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is OMVZQQKRTMGAPQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(2)19-11-16(21)12-22-18-7-5-4-6-15(18)8-9-17-10-14(3)20-23-17/h4-10,13,16,19,21H,11-12H2,1-3H3/b9-8+.
What are the key properties of 1-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 316.40 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 13015322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).