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

C16H21N5O3 — CID 154753445

IUPACN-(6-methyl-2-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
SMILESCc1cccc(NC(=O)N2CCOCC2c2nnc(C(C)C)o2)n1
InChIInChI=1S/C16H21N5O3/c1-10(2)14-19-20-15(24-14)12-9-23-8-7-21(12)16(22)18-13-6-4-5-11(3)17-13/h4-6,10,12H,7-9H2,1-3H3,(H,17,18,22)
InChIKeyNTXUBLXZWHUQKM-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.50
Rot. Bonds3

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

N-(6-methyl-2-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide (PubChem CID 154753445) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
PubChem CID154753445
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-(6-methyl-2-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
SMILESCc1cccc(NC(=O)N2CCOCC2c2nnc(C(C)C)o2)n1
InChIInChI=1S/C16H21N5O3/c1-10(2)14-19-20-15(24-14)12-9-23-8-7-21(12)16(22)18-13-6-4-5-11(3)17-13/h4-6,10,12H,7-9H2,1-3H3,(H,17,18,22)
InChIKeyNTXUBLXZWHUQKM-UHFFFAOYSA-N
XLogP2.50
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide (CID 154753445) is N-(6-methyl-2-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide is Cc1cccc(NC(=O)N2CCOCC2c2nnc(C(C)C)o2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is NTXUBLXZWHUQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10(2)14-19-20-15(24-14)12-9-23-8-7-21(12)16(22)18-13-6-4-5-11(3)17-13/h4-6,10,12H,7-9H2,1-3H3,(H,17,18,22).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?
N-(6-methyl-2-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 154753445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).