N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide

C16H16ClN7O3 — CID 127785689

IUPACN-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
SMILESCn1cc(-c2nc(C3COCCN3C(=O)Nc3ccc(Cl)cn3)no2)cn1
InChIInChI=1S/C16H16ClN7O3/c1-23-8-10(6-19-23)15-21-14(22-27-15)12-9-26-5-4-24(12)16(25)20-13-3-2-11(17)7-18-13/h2-3,6-8,12H,4-5,9H2,1H3,(H,18,20,25)
InChIKeySHMOHBLCFRRBBB-UHFFFAOYSA-N
MW389.80 g/mol
LogP2.12
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide

N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide (PubChem CID 127785689) has the molecular formula C16H16ClN7O3 and a molecular weight of 389.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
PubChem CID127785689
Molecular FormulaC16H16ClN7O3
Molecular Weight389.80 g/mol
Exact Mass389.10
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
SMILESCn1cc(-c2nc(C3COCCN3C(=O)Nc3ccc(Cl)cn3)no2)cn1
InChIInChI=1S/C16H16ClN7O3/c1-23-8-10(6-19-23)15-21-14(22-27-15)12-9-26-5-4-24(12)16(25)20-13-3-2-11(17)7-18-13/h2-3,6-8,12H,4-5,9H2,1H3,(H,18,20,25)
InChIKeySHMOHBLCFRRBBB-UHFFFAOYSA-N
XLogP2.12
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.80
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3,5-dichlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 75475248
[(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone
CID 97345988
(E)-3-(2,6-difluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
CID 75475246
3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
CID 126779690
N-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide
CID 146125492
(3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345982
N-(2-ethylpyrimidin-5-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide
CID 127784082
(3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine
CID 97345900
N-(1-ethylpyrazol-4-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide
CID 127785698
(3R)-4-(4-ethylphenyl)sulfonyl-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345908
3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine
CID 167973673
morpholin-4-yl-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97344845

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide (CID 127785689) is N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide is Cn1cc(-c2nc(C3COCCN3C(=O)Nc3ccc(Cl)cn3)no2)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide?
The InChIKey is SHMOHBLCFRRBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN7O3/c1-23-8-10(6-19-23)15-21-14(22-27-15)12-9-26-5-4-24(12)16(25)20-13-3-2-11(17)7-18-13/h2-3,6-8,12H,4-5,9H2,1H3,(H,18,20,25).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide has a molecular weight of 389.80 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 127785689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).