(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine

C13H18N4O2 — CID 99825829

IUPAC(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine
SMILESCc1noc([C@H]2COCCN2Cc2cccn2C)n1
InChIInChI=1S/C13H18N4O2/c1-10-14-13(19-15-10)12-9-18-7-6-17(12)8-11-4-3-5-16(11)2/h3-5,12H,6-9H2,1-2H3/t12-/m1/s1
InChIKeyNAJCZYHPQLBZSP-GFCCVEGCSA-N
MW262.31 g/mol
LogP1.29
Rot. Bonds3

About (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine

(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine (PubChem CID 99825829) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine
PubChem CID99825829
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine
SMILESCc1noc([C@H]2COCCN2Cc2cccn2C)n1
InChIInChI=1S/C13H18N4O2/c1-10-14-13(19-15-10)12-9-18-7-6-17(12)8-11-4-3-5-16(11)2/h3-5,12H,6-9H2,1-2H3/t12-/m1/s1
InChIKeyNAJCZYHPQLBZSP-GFCCVEGCSA-N
XLogP1.29
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine?
The IUPAC name of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine (CID 99825829) is (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine.
What is the SMILES notation for (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine?
The canonical SMILES for (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine is Cc1noc([C@H]2COCCN2Cc2cccn2C)n1.
What is the InChIKey of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine?
The InChIKey is NAJCZYHPQLBZSP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-10-14-13(19-15-10)12-9-18-7-6-17(12)8-11-4-3-5-16(11)2/h3-5,12H,6-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine?
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine has a molecular weight of 262.31 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine is sourced from PubChem (CID 99825829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).