N,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine

C19H23N5O — CID 126837610

IUPACN,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESCc1ncc(-c2nc(-c3ccc(CN(C)C)cc3)no2)c(C(C)C)n1
InChIInChI=1S/C19H23N5O/c1-12(2)17-16(10-20-13(3)21-17)19-22-18(23-25-19)15-8-6-14(7-9-15)11-24(4)5/h6-10,12H,11H2,1-5H3
InChIKeyPSWKVUJYZNIMTD-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.69
Rot. Bonds5

About N,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine

N,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine (PubChem CID 126837610) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
PubChem CID126837610
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESCc1ncc(-c2nc(-c3ccc(CN(C)C)cc3)no2)c(C(C)C)n1
InChIInChI=1S/C19H23N5O/c1-12(2)17-16(10-20-13(3)21-17)19-22-18(23-25-19)15-8-6-14(7-9-15)11-24(4)5/h6-10,12H,11H2,1-5H3
InChIKeyPSWKVUJYZNIMTD-UHFFFAOYSA-N
XLogP3.69
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine (CID 126837610) is N,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine is Cc1ncc(-c2nc(-c3ccc(CN(C)C)cc3)no2)c(C(C)C)n1.
What is the InChIKey of N,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The InChIKey is PSWKVUJYZNIMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12(2)17-16(10-20-13(3)21-17)19-22-18(23-25-19)15-8-6-14(7-9-15)11-24(4)5/h6-10,12H,11H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
N,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine has a molecular weight of 337.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine is sourced from PubChem (CID 126837610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).