(2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine

C14H23N7O3 — CID 97196275

IUPAC(2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
SMILESCOCCn1nnc([C@@H]2CN(c3nnc(C(C)(C)C)o3)CCO2)n1
InChIInChI=1S/C14H23N7O3/c1-14(2,3)12-16-17-13(24-12)20-5-8-23-10(9-20)11-15-19-21(18-11)6-7-22-4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyZMHOGVCRSKWTPX-JTQLQIEISA-N
MW337.38 g/mol
LogP0.58
Rot. Bonds5

About (2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine

(2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine (PubChem CID 97196275) has the molecular formula C14H23N7O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine.

Molecular Properties

Compound Name(2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
PubChem CID97196275
Molecular FormulaC14H23N7O3
Molecular Weight337.38 g/mol
Exact Mass337.19
IUPAC Name(2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
SMILESCOCCn1nnc([C@@H]2CN(c3nnc(C(C)(C)C)o3)CCO2)n1
InChIInChI=1S/C14H23N7O3/c1-14(2,3)12-16-17-13(24-12)20-5-8-23-10(9-20)11-15-19-21(18-11)6-7-22-4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyZMHOGVCRSKWTPX-JTQLQIEISA-N
XLogP0.58
TPSA104.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine?
The IUPAC name of (2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine (CID 97196275) is (2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine.
What is the SMILES notation for (2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine?
The canonical SMILES for (2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine is COCCn1nnc([C@@H]2CN(c3nnc(C(C)(C)C)o3)CCO2)n1.
What is the InChIKey of (2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine?
The InChIKey is ZMHOGVCRSKWTPX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N7O3/c1-14(2,3)12-16-17-13(24-12)20-5-8-23-10(9-20)11-15-19-21(18-11)6-7-22-4/h10H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine?
(2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine has a molecular weight of 337.38 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine is sourced from PubChem (CID 97196275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).