(3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine

C20H19N7O2 — CID 97345900

IUPAC(3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine
SMILESCn1cc(-c2nc([C@H]3COCCN3c3ccnc(-c4ccccc4)n3)no2)cn1
InChIInChI=1S/C20H19N7O2/c1-26-12-15(11-22-26)20-24-19(25-29-20)16-13-28-10-9-27(16)17-7-8-21-18(23-17)14-5-3-2-4-6-14/h2-8,11-12,16H,9-10,13H2,1H3/t16-/m1/s1
InChIKeyJBCUIZKTEXTUKW-MRXNPFEDSA-N
MW389.42 g/mol
LogP2.51
Rot. Bonds4

About (3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine

(3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine (PubChem CID 97345900) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is (3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine
PubChem CID97345900
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name(3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine
SMILESCn1cc(-c2nc([C@H]3COCCN3c3ccnc(-c4ccccc4)n3)no2)cn1
InChIInChI=1S/C20H19N7O2/c1-26-12-15(11-22-26)20-24-19(25-29-20)16-13-28-10-9-27(16)17-7-8-21-18(23-17)14-5-3-2-4-6-14/h2-8,11-12,16H,9-10,13H2,1H3/t16-/m1/s1
InChIKeyJBCUIZKTEXTUKW-MRXNPFEDSA-N
XLogP2.51
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine
CID 97344130
[(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone
CID 97345988
3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine
CID 167973673
(3R)-4-(4-ethylphenyl)sulfonyl-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345908
(3,5-dichlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 75475248
(3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345982
(3R)-4-(cyclohexylmethylsulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345911
(3R)-4-(2-methoxyethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344632
(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
N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
CID 127785689
morpholin-4-yl-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97344845
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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine?
The IUPAC name of (3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine (CID 97345900) is (3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine.
What is the SMILES notation for (3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine?
The canonical SMILES for (3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine is Cn1cc(-c2nc([C@H]3COCCN3c3ccnc(-c4ccccc4)n3)no2)cn1.
What is the InChIKey of (3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine?
The InChIKey is JBCUIZKTEXTUKW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-26-12-15(11-22-26)20-24-19(25-29-20)16-13-28-10-9-27(16)17-7-8-21-18(23-17)14-5-3-2-4-6-14/h2-8,11-12,16H,9-10,13H2,1H3/t16-/m1/s1.
What are the key properties of (3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine?
(3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine has a molecular weight of 389.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 97345900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).