(1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol

C18H25N3O2 — CID 95161589

IUPAC(1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol
SMILESCc1noc(C)c1CN1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C18H25N3O2/c1-14-17(15(2)23-19-14)12-20-8-10-21(11-9-20)13-18(22)16-6-4-3-5-7-16/h3-7,18,22H,8-13H2,1-2H3/t18-/m0/s1
InChIKeyQCFQJTQOTCQELD-SFHVURJKSA-N
MW315.42 g/mol
LogP2.14
Rot. Bonds5

About (1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol

(1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol (PubChem CID 95161589) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol
PubChem CID95161589
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol
SMILESCc1noc(C)c1CN1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C18H25N3O2/c1-14-17(15(2)23-19-14)12-20-8-10-21(11-9-20)13-18(22)16-6-4-3-5-7-16/h3-7,18,22H,8-13H2,1-2H3/t18-/m0/s1
InChIKeyQCFQJTQOTCQELD-SFHVURJKSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol with MolForge

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Launch Full Analysis

Related Compounds

(1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 95341722
(2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide
CID 98042028
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 56809888
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
(1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95322228
4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 39975553
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol
CID 110903115
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 71782689
2-(2-chlorophenyl)sulfanyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 55718984
(E)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride
CID 71782735
1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 111462476

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol (CID 95161589) is (1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol is Cc1noc(C)c1CN1CCN(C[C@H](O)c2ccccc2)CC1.
What is the InChIKey of (1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The InChIKey is QCFQJTQOTCQELD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-17(15(2)23-19-14)12-20-8-10-21(11-9-20)13-18(22)16-6-4-3-5-7-16/h3-7,18,22H,8-13H2,1-2H3/t18-/m0/s1.
What are the key properties of (1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol?
(1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol has a molecular weight of 315.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 95161589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).