(3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine

C17H17ClFN5O2 — CID 97345982

IUPAC(3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCn1cc(-c2nc([C@@H]3COCCN3Cc3c(F)cccc3Cl)no2)cn1
InChIInChI=1S/C17H17ClFN5O2/c1-23-8-11(7-20-23)17-21-16(22-26-17)15-10-25-6-5-24(15)9-12-13(18)3-2-4-14(12)19/h2-4,7-8,15H,5-6,9-10H2,1H3/t15-/m0/s1
InChIKeyNOGDNFWWMMYQCK-HNNXBMFYSA-N
MW377.81 g/mol
LogP2.84
Rot. Bonds4

About (3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine

(3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 97345982) has the molecular formula C17H17ClFN5O2 and a molecular weight of 377.81 g/mol. Its IUPAC name is (3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name(3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID97345982
Molecular FormulaC17H17ClFN5O2
Molecular Weight377.81 g/mol
Exact Mass377.11
IUPAC Name(3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCn1cc(-c2nc([C@@H]3COCCN3Cc3c(F)cccc3Cl)no2)cn1
InChIInChI=1S/C17H17ClFN5O2/c1-23-8-11(7-20-23)17-21-16(22-26-17)15-10-25-6-5-24(15)9-12-13(18)3-2-4-14(12)19/h2-4,7-8,15H,5-6,9-10H2,1H3/t15-/m0/s1
InChIKeyNOGDNFWWMMYQCK-HNNXBMFYSA-N
XLogP2.84
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine
CID 167973673
3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine
CID 154743242
(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
[(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone
CID 97345988
N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
CID 127785689
(3,5-dichlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 75475248
(3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine
CID 97345900
(3R)-4-(2-methoxyethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344632
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
(3R)-4-(4-ethylphenyl)sulfonyl-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345908
(3R)-4-[(4-chlorophenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344327
(3R)-4-(cyclohexylmethylsulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345911

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of (3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine (CID 97345982) is (3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for (3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for (3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine is Cn1cc(-c2nc([C@@H]3COCCN3Cc3c(F)cccc3Cl)no2)cn1.
What is the InChIKey of (3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is NOGDNFWWMMYQCK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17ClFN5O2/c1-23-8-11(7-20-23)17-21-16(22-26-17)15-10-25-6-5-24(15)9-12-13(18)3-2-4-14(12)19/h2-4,7-8,15H,5-6,9-10H2,1H3/t15-/m0/s1.
What are the key properties of (3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
(3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 377.81 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 97345982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).