2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine

C16H18N6O2S — CID 110130724

IUPAC2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCc1nc(-c2cncnc2C2CN(Cc3cnc(C)s3)CCO2)no1
InChIInChI=1S/C16H18N6O2S/c1-10-20-16(21-24-10)13-6-17-9-19-15(13)14-8-22(3-4-23-14)7-12-5-18-11(2)25-12/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyOIBWSVARBYWNRM-UHFFFAOYSA-N
MW358.43 g/mol
LogP2.17
Rot. Bonds4

About 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine

2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine (PubChem CID 110130724) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
PubChem CID110130724
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC Name2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCc1nc(-c2cncnc2C2CN(Cc3cnc(C)s3)CCO2)no1
InChIInChI=1S/C16H18N6O2S/c1-10-20-16(21-24-10)13-6-17-9-19-15(13)14-8-22(3-4-23-14)7-12-5-18-11(2)25-12/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyOIBWSVARBYWNRM-UHFFFAOYSA-N
XLogP2.17
TPSA90.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine
CID 127250972
4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 127249221
(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 95978917
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 95283767
(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 124949958
4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 110093061
5-[[3,5-bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole
CID 59815005
[2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 110251874
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine
CID 129403672
4-[4-[(2R)-4-(quinolin-8-ylmethyl)morpholin-2-yl]pyrimidin-5-yl]pyridin-2-amine
CID 95830959
2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 127250881
(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 94247072

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The IUPAC name of 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine (CID 110130724) is 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine.
What is the SMILES notation for 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The canonical SMILES for 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine is Cc1nc(-c2cncnc2C2CN(Cc3cnc(C)s3)CCO2)no1.
What is the InChIKey of 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The InChIKey is OIBWSVARBYWNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-10-20-16(21-24-10)13-6-17-9-19-15(13)14-8-22(3-4-23-14)7-12-5-18-11(2)25-12/h5-6,9,14H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine has a molecular weight of 358.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 110130724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).