1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol

C18H25N3O2 — CID 56778700

IUPAC1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(Cc2cc(-c3ccccc3)no2)CC1C
InChIInChI=1S/C18H25N3O2/c1-14-11-20(8-9-21(14)12-15(2)22)13-17-10-18(19-23-17)16-6-4-3-5-7-16/h3-7,10,14-15,22H,8-9,11-13H2,1-2H3
InChIKeyBNDPVZPMOIWCMW-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.23
Rot. Bonds5

About 1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol

1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 56778700) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID56778700
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(Cc2cc(-c3ccccc3)no2)CC1C
InChIInChI=1S/C18H25N3O2/c1-14-11-20(8-9-21(14)12-15(2)22)13-17-10-18(19-23-17)16-6-4-3-5-7-16/h3-7,10,14-15,22H,8-9,11-13H2,1-2H3
InChIKeyBNDPVZPMOIWCMW-UHFFFAOYSA-N
XLogP2.23
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 98761330
(2R)-1-[(2S)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98763698
(2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602161
1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 102563995
(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
(2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602344
(2R)-1-[(2R)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602343
(2S)-1-[(2R)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124778927
(2R)-1-[(2R)-2-methyl-4-[(2-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602266
1-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 30760408
(2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 99802465
(2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124853039

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol (CID 56778700) is 1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol is CC(O)CN1CCN(Cc2cc(-c3ccccc3)no2)CC1C.
What is the InChIKey of 1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is BNDPVZPMOIWCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-11-20(8-9-21(14)12-15(2)22)13-17-10-18(19-23-17)16-6-4-3-5-7-16/h3-7,10,14-15,22H,8-9,11-13H2,1-2H3.
What are the key properties of 1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol?
1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 315.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 56778700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).