N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline

C16H16N4O — CID 102613250

IUPACN-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCc1nccnc1C(C)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C16H16N4O/c1-11-16(19-8-7-18-11)12(2)20-14-5-3-13(4-6-14)15-9-17-10-21-15/h3-10,12,20H,1-2H3
InChIKeyCBUMVMKFUNJJDH-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.61
Rot. Bonds4

About N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline

N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline (PubChem CID 102613250) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline
PubChem CID102613250
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCc1nccnc1C(C)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C16H16N4O/c1-11-16(19-8-7-18-11)12(2)20-14-5-3-13(4-6-14)15-9-17-10-21-15/h3-10,12,20H,1-2H3
InChIKeyCBUMVMKFUNJJDH-UHFFFAOYSA-N
XLogP3.61
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline
CID 54864396
N-[1-(4-chlorophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline
CID 60943069
N-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline
CID 60943068
N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102612936
N-(3-methoxybutan-2-yl)-4-(1,3-oxazol-5-yl)aniline
CID 113354064
2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid
CID 66174342
N-[1-(3-methylpyrazin-2-yl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 102613252
N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 102613167
6-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]pyridin-3-amine
CID 102613263
N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 102613241
4-(1,3-oxazol-5-yl)-N-(propan-2-ylideneamino)aniline
CID 23106550
3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613155

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline (CID 102613250) is N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline is Cc1nccnc1C(C)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is CBUMVMKFUNJJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-16(19-8-7-18-11)12(2)20-14-5-3-13(4-6-14)15-9-17-10-21-15/h3-10,12,20H,1-2H3.
What are the key properties of N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline?
N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 280.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 102613250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).