1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol

C19H27N3O4 — CID 67637838

IUPAC1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCOc1ccc(-c2cc(COCC(O)CN3CCN(C)CC3)on2)cc1
InChIInChI=1S/C19H27N3O4/c1-21-7-9-22(10-8-21)12-16(23)13-25-14-18-11-19(20-26-18)15-3-5-17(24-2)6-4-15/h3-6,11,16,23H,7-10,12-14H2,1-2H3
InChIKeyQHLLAXROQCFVRV-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.48
Rot. Bonds8

About 1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol

1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 67637838) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID67637838
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCOc1ccc(-c2cc(COCC(O)CN3CCN(C)CC3)on2)cc1
InChIInChI=1S/C19H27N3O4/c1-21-7-9-22(10-8-21)12-16(23)13-25-14-18-11-19(20-26-18)15-3-5-17(24-2)6-4-15/h3-6,11,16,23H,7-10,12-14H2,1-2H3
InChIKeyQHLLAXROQCFVRV-UHFFFAOYSA-N
XLogP1.48
TPSA71.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 67637838) is 1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol is COc1ccc(-c2cc(COCC(O)CN3CCN(C)CC3)on2)cc1.
What is the InChIKey of 1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is QHLLAXROQCFVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-21-7-9-22(10-8-21)12-16(23)13-25-14-18-11-19(20-26-18)15-3-5-17(24-2)6-4-15/h3-6,11,16,23H,7-10,12-14H2,1-2H3.
What are the key properties of 1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol?
1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 361.44 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 67637838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).