N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine

C18H20N4O — CID 77096482

IUPACN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine
SMILESCC(Cc1cnccn1)N(C)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C18H20N4O/c1-14(10-16-12-19-8-9-20-16)22(2)13-17-11-18(21-23-17)15-6-4-3-5-7-15/h3-9,11-12,14H,10,13H2,1-2H3
InChIKeySWNRJIMTQZQRHQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.19
Rot. Bonds6

About N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine

N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine (PubChem CID 77096482) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine
PubChem CID77096482
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine
SMILESCC(Cc1cnccn1)N(C)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C18H20N4O/c1-14(10-16-12-19-8-9-20-16)22(2)13-17-11-18(21-23-17)15-6-4-3-5-7-15/h3-9,11-12,14H,10,13H2,1-2H3
InChIKeySWNRJIMTQZQRHQ-UHFFFAOYSA-N
XLogP3.19
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
(2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine
CID 124754261
3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine
CID 99934058
(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine
CID 99942942
N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686446
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72902762
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid
CID 75384716
(2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 97087949
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
CID 91841578
(2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine
CID 99818984
ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole
CID 143675921
(2R)-3-[methyl-[2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol
CID 98841948

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine?
The IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine (CID 77096482) is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine.
What is the SMILES notation for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine?
The canonical SMILES for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine is CC(Cc1cnccn1)N(C)Cc1cc(-c2ccccc2)no1.
What is the InChIKey of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine?
The InChIKey is SWNRJIMTQZQRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-14(10-16-12-19-8-9-20-16)22(2)13-17-11-18(21-23-17)15-6-4-3-5-7-15/h3-9,11-12,14H,10,13H2,1-2H3.
What are the key properties of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine?
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine has a molecular weight of 308.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine is sourced from PubChem (CID 77096482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).