(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine

C14H20N4O2S — CID 71694312

IUPAC(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine
SMILESCC(C)(C)c1coc([C@@H]2COCCN2Cc2csnn2)n1
InChIInChI=1S/C14H20N4O2S/c1-14(2,3)12-8-20-13(15-12)11-7-19-5-4-18(11)6-10-9-21-17-16-10/h8-9,11H,4-7H2,1-3H3/t11-/m0/s1
InChIKeyJDOXQPPWGRJLEH-NSHDSACASA-N
MW308.41 g/mol
LogP2.40
Rot. Bonds3

About (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine

(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine (PubChem CID 71694312) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine
PubChem CID71694312
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine
SMILESCC(C)(C)c1coc([C@@H]2COCCN2Cc2csnn2)n1
InChIInChI=1S/C14H20N4O2S/c1-14(2,3)12-8-20-13(15-12)11-7-19-5-4-18(11)6-10-9-21-17-16-10/h8-9,11H,4-7H2,1-3H3/t11-/m0/s1
InChIKeyJDOXQPPWGRJLEH-NSHDSACASA-N
XLogP2.40
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine?
The IUPAC name of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine (CID 71694312) is (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine.
What is the SMILES notation for (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine?
The canonical SMILES for (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine is CC(C)(C)c1coc([C@@H]2COCCN2Cc2csnn2)n1.
What is the InChIKey of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine?
The InChIKey is JDOXQPPWGRJLEH-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-14(2,3)12-8-20-13(15-12)11-7-19-5-4-18(11)6-10-9-21-17-16-10/h8-9,11H,4-7H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine?
(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine has a molecular weight of 308.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine is sourced from PubChem (CID 71694312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).