(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate

C16H15N5O3 — CID 43063484

IUPAC(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCN(CC(=O)OCc1nc(-c2ccccc2)no1)c1ncccn1
InChIInChI=1S/C16H15N5O3/c1-21(16-17-8-5-9-18-16)10-14(22)23-11-13-19-15(20-24-13)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3
InChIKeyNKLVUIXCKBZDON-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.71
Rot. Bonds6

About (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate (PubChem CID 43063484) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
PubChem CID43063484
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCN(CC(=O)OCc1nc(-c2ccccc2)no1)c1ncccn1
InChIInChI=1S/C16H15N5O3/c1-21(16-17-8-5-9-18-16)10-14(22)23-11-13-19-15(20-24-13)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3
InChIKeyNKLVUIXCKBZDON-UHFFFAOYSA-N
XLogP1.71
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 8765691
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate
CID 8607847
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(4-chlorophenyl)propanoate
CID 134031490
methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate
CID 91991140
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl pyridine-2-carboxylate
CID 40734371
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate
CID 29364003
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl furan-3-carboxylate
CID 26985153
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 5-acetylthiophene-2-carboxylate
CID 18100127
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 31142462
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3S)-3-phenylbutanoate
CID 8522651
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 55563076
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate?
The IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate (CID 43063484) is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate?
The canonical SMILES for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate is CN(CC(=O)OCc1nc(-c2ccccc2)no1)c1ncccn1.
What is the InChIKey of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate?
The InChIKey is NKLVUIXCKBZDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-21(16-17-8-5-9-18-16)10-14(22)23-11-13-19-15(20-24-13)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3.
What are the key properties of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate?
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate has a molecular weight of 325.33 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 43063484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).