(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

C18H29N5O2 — CID 129483062

IUPAC(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCC(C)n1cc([C@@]2(O)CCCN(Cc3ncc(C(C)(C)C)o3)C2)nn1
InChIInChI=1S/C18H29N5O2/c1-13(2)23-10-14(20-21-23)18(24)7-6-8-22(12-18)11-16-19-9-15(25-16)17(3,4)5/h9-10,13,24H,6-8,11-12H2,1-5H3/t18-/m1/s1
InChIKeyJCRMKNHZAABVIO-GOSISDBHSA-N
MW347.46 g/mol
LogP2.63
Rot. Bonds4

About (3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (PubChem CID 129483062) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
PubChem CID129483062
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCC(C)n1cc([C@@]2(O)CCCN(Cc3ncc(C(C)(C)C)o3)C2)nn1
InChIInChI=1S/C18H29N5O2/c1-13(2)23-10-14(20-21-23)18(24)7-6-8-22(12-18)11-16-19-9-15(25-16)17(3,4)5/h9-10,13,24H,6-8,11-12H2,1-5H3/t18-/m1/s1
InChIKeyJCRMKNHZAABVIO-GOSISDBHSA-N
XLogP2.63
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The IUPAC name of (3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (CID 129483062) is (3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.
What is the SMILES notation for (3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The canonical SMILES for (3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is CC(C)n1cc([C@@]2(O)CCCN(Cc3ncc(C(C)(C)C)o3)C2)nn1.
What is the InChIKey of (3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The InChIKey is JCRMKNHZAABVIO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-13(2)23-10-14(20-21-23)18(24)7-6-8-22(12-18)11-16-19-9-15(25-16)17(3,4)5/h9-10,13,24H,6-8,11-12H2,1-5H3/t18-/m1/s1.
What are the key properties of (3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol has a molecular weight of 347.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 129483062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).