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

C17H30N4O3 — CID 95316342

IUPAC(2R)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCc1nc(CN2CCN(C[C@@H](O)CN3CCOCC3)CC2)oc1C
InChIInChI=1S/C17H30N4O3/c1-14-15(2)24-17(18-14)13-20-5-3-19(4-6-20)11-16(22)12-21-7-9-23-10-8-21/h16,22H,3-13H2,1-2H3/t16-/m1/s1
InChIKeyBTUJESHUMQMKET-MRXNPFEDSA-N
MW338.45 g/mol
LogP0.10
Rot. Bonds6

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

(2R)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 95316342) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2R)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID95316342
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name(2R)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCc1nc(CN2CCN(C[C@@H](O)CN3CCOCC3)CC2)oc1C
InChIInChI=1S/C17H30N4O3/c1-14-15(2)24-17(18-14)13-20-5-3-19(4-6-20)11-16(22)12-21-7-9-23-10-8-21/h16,22H,3-13H2,1-2H3/t16-/m1/s1
InChIKeyBTUJESHUMQMKET-MRXNPFEDSA-N
XLogP0.10
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 95316342) is (2R)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol is Cc1nc(CN2CCN(C[C@@H](O)CN3CCOCC3)CC2)oc1C.
What is the InChIKey of (2R)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is BTUJESHUMQMKET-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-14-15(2)24-17(18-14)13-20-5-3-19(4-6-20)11-16(22)12-21-7-9-23-10-8-21/h16,22H,3-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
(2R)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 338.45 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 95316342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).