N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]morpholine-2-carboxamide

C16H21N5O3 — CID 119871684

IUPACN-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]morpholine-2-carboxamide
SMILESCC(C)C(NC(=O)C1CNCCO1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C16H21N5O3/c1-10(2)13(19-15(22)12-9-18-7-8-23-12)16-20-14(21-24-16)11-3-5-17-6-4-11/h3-6,10,12-13,18H,7-9H2,1-2H3,(H,19,22)
InChIKeyRTDRZXBYWRCIJS-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.93
Rot. Bonds5

About N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]morpholine-2-carboxamide

N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]morpholine-2-carboxamide (PubChem CID 119871684) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]morpholine-2-carboxamide
PubChem CID119871684
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]morpholine-2-carboxamide
SMILESCC(C)C(NC(=O)C1CNCCO1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C16H21N5O3/c1-10(2)13(19-15(22)12-9-18-7-8-23-12)16-20-14(21-24-16)11-3-5-17-6-4-11/h3-6,10,12-13,18H,7-9H2,1-2H3,(H,19,22)
InChIKeyRTDRZXBYWRCIJS-UHFFFAOYSA-N
XLogP0.93
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]morpholine-2-carboxamide (CID 119871684) is N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]morpholine-2-carboxamide is CC(C)C(NC(=O)C1CNCCO1)c1nc(-c2ccncc2)no1.
What is the InChIKey of N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]morpholine-2-carboxamide?
The InChIKey is RTDRZXBYWRCIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10(2)13(19-15(22)12-9-18-7-8-23-12)16-20-14(21-24-16)11-3-5-17-6-4-11/h3-6,10,12-13,18H,7-9H2,1-2H3,(H,19,22).
What are the key properties of N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]morpholine-2-carboxamide?
N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]morpholine-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]morpholine-2-carboxamide is sourced from PubChem (CID 119871684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).