2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

C17H16N6O2 — CID 70721651

IUPAC2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCCc1nc2c(N(C)Cc3nc(-c4ccccc4)no3)ncnc2o1
InChIInChI=1S/C17H16N6O2/c1-3-12-20-14-16(18-10-19-17(14)24-12)23(2)9-13-21-15(22-25-13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyGPQRTKBQUHLVKJ-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.87
Rot. Bonds5

About 2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (PubChem CID 70721651) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
PubChem CID70721651
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCCc1nc2c(N(C)Cc3nc(-c4ccccc4)no3)ncnc2o1
InChIInChI=1S/C17H16N6O2/c1-3-12-20-14-16(18-10-19-17(14)24-12)23(2)9-13-21-15(22-25-13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyGPQRTKBQUHLVKJ-UHFFFAOYSA-N
XLogP2.87
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
CID 70778356
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine
CID 8593214
1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol
CID 78963940
3,4-difluoro-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 86831668
N,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 70757916
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66188094
1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylthiourea
CID 17275437
1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea
CID 17275261
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 171912724
3-benzylsulfanyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 50875142
1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 42946170

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (CID 70721651) is 2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is CCc1nc2c(N(C)Cc3nc(-c4ccccc4)no3)ncnc2o1.
What is the InChIKey of 2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is GPQRTKBQUHLVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-3-12-20-14-16(18-10-19-17(14)24-12)23(2)9-13-21-15(22-25-13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 336.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 70721651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).