(2S)-N,N-dimethyl-1,4-bis[(5-methyl-1,3-oxazol-2-yl)methyl]piperazine-2-carboxamide

C17H25N5O3 — CID 97008300

IUPAC(2S)-N,N-dimethyl-1,4-bis[(5-methyl-1,3-oxazol-2-yl)methyl]piperazine-2-carboxamide
SMILESCc1cnc(CN2CCN(Cc3ncc(C)o3)[C@H](C(=O)N(C)C)C2)o1
InChIInChI=1S/C17H25N5O3/c1-12-7-18-15(24-12)10-21-5-6-22(11-16-19-8-13(2)25-16)14(9-21)17(23)20(3)4/h7-8,14H,5-6,9-11H2,1-4H3/t14-/m0/s1
InChIKeyUDFXIUDLMZBDKH-AWEZNQCLSA-N
MW347.42 g/mol
LogP1.05
Rot. Bonds5

About (2S)-N,N-dimethyl-1,4-bis[(5-methyl-1,3-oxazol-2-yl)methyl]piperazine-2-carboxamide

(2S)-N,N-dimethyl-1,4-bis[(5-methyl-1,3-oxazol-2-yl)methyl]piperazine-2-carboxamide (PubChem CID 97008300) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-1,4-bis[(5-methyl-1,3-oxazol-2-yl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-1,4-bis[(5-methyl-1,3-oxazol-2-yl)methyl]piperazine-2-carboxamide
PubChem CID97008300
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(2S)-N,N-dimethyl-1,4-bis[(5-methyl-1,3-oxazol-2-yl)methyl]piperazine-2-carboxamide
SMILESCc1cnc(CN2CCN(Cc3ncc(C)o3)[C@H](C(=O)N(C)C)C2)o1
InChIInChI=1S/C17H25N5O3/c1-12-7-18-15(24-12)10-21-5-6-22(11-16-19-8-13(2)25-16)14(9-21)17(23)20(3)4/h7-8,14H,5-6,9-11H2,1-4H3/t14-/m0/s1
InChIKeyUDFXIUDLMZBDKH-AWEZNQCLSA-N
XLogP1.05
TPSA78.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-1,4-bis[(5-methyl-1,3-oxazol-2-yl)methyl]piperazine-2-carboxamide?
The IUPAC name of (2S)-N,N-dimethyl-1,4-bis[(5-methyl-1,3-oxazol-2-yl)methyl]piperazine-2-carboxamide (CID 97008300) is (2S)-N,N-dimethyl-1,4-bis[(5-methyl-1,3-oxazol-2-yl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dimethyl-1,4-bis[(5-methyl-1,3-oxazol-2-yl)methyl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-N,N-dimethyl-1,4-bis[(5-methyl-1,3-oxazol-2-yl)methyl]piperazine-2-carboxamide is Cc1cnc(CN2CCN(Cc3ncc(C)o3)[C@H](C(=O)N(C)C)C2)o1.
What is the InChIKey of (2S)-N,N-dimethyl-1,4-bis[(5-methyl-1,3-oxazol-2-yl)methyl]piperazine-2-carboxamide?
The InChIKey is UDFXIUDLMZBDKH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-12-7-18-15(24-12)10-21-5-6-22(11-16-19-8-13(2)25-16)14(9-21)17(23)20(3)4/h7-8,14H,5-6,9-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-1,4-bis[(5-methyl-1,3-oxazol-2-yl)methyl]piperazine-2-carboxamide?
(2S)-N,N-dimethyl-1,4-bis[(5-methyl-1,3-oxazol-2-yl)methyl]piperazine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-1,4-bis[(5-methyl-1,3-oxazol-2-yl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 97008300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).