(3S)-N-(2,6-dimethyl-3-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide

C17H23N5O3 — CID 129334174

IUPAC(3S)-N-(2,6-dimethyl-3-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)c(C)n1
InChIInChI=1S/C17H23N5O3/c1-10(2)15-20-21-16(25-15)14-9-24-8-7-22(14)17(23)19-13-6-5-11(3)18-12(13)4/h5-6,10,14H,7-9H2,1-4H3,(H,19,23)/t14-/m0/s1
InChIKeyNHEYHUCNSLJAHQ-AWEZNQCLSA-N
MW345.40 g/mol
LogP2.81
Rot. Bonds3

About (3S)-N-(2,6-dimethyl-3-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide

(3S)-N-(2,6-dimethyl-3-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide (PubChem CID 129334174) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (3S)-N-(2,6-dimethyl-3-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,6-dimethyl-3-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
PubChem CID129334174
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(3S)-N-(2,6-dimethyl-3-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)c(C)n1
InChIInChI=1S/C17H23N5O3/c1-10(2)15-20-21-16(25-15)14-9-24-8-7-22(14)17(23)19-13-6-5-11(3)18-12(13)4/h5-6,10,14H,7-9H2,1-4H3,(H,19,23)/t14-/m0/s1
InChIKeyNHEYHUCNSLJAHQ-AWEZNQCLSA-N
XLogP2.81
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,6-dimethyl-3-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of (3S)-N-(2,6-dimethyl-3-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide (CID 129334174) is (3S)-N-(2,6-dimethyl-3-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for (3S)-N-(2,6-dimethyl-3-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for (3S)-N-(2,6-dimethyl-3-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide is Cc1ccc(NC(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)c(C)n1.
What is the InChIKey of (3S)-N-(2,6-dimethyl-3-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is NHEYHUCNSLJAHQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-10(2)15-20-21-16(25-15)14-9-24-8-7-22(14)17(23)19-13-6-5-11(3)18-12(13)4/h5-6,10,14H,7-9H2,1-4H3,(H,19,23)/t14-/m0/s1.
What are the key properties of (3S)-N-(2,6-dimethyl-3-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?
(3S)-N-(2,6-dimethyl-3-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,6-dimethyl-3-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 129334174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).