N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline

C16H16N2O2 — CID 62346531

IUPACN-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCCc1ccc(CNc2ccc(-c3cnco3)cc2)o1
InChIInChI=1S/C16H16N2O2/c1-2-14-7-8-15(20-14)9-18-13-5-3-12(4-6-13)16-10-17-11-19-16/h3-8,10-11,18H,2,9H2,1H3
InChIKeyBGWOIVAJUBETAH-UHFFFAOYSA-N
MW268.32 g/mol
LogP4.11
Rot. Bonds5

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

N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline (PubChem CID 62346531) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
PubChem CID62346531
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCCc1ccc(CNc2ccc(-c3cnco3)cc2)o1
InChIInChI=1S/C16H16N2O2/c1-2-14-7-8-15(20-14)9-18-13-5-3-12(4-6-13)16-10-17-11-19-16/h3-8,10-11,18H,2,9H2,1H3
InChIKeyBGWOIVAJUBETAH-UHFFFAOYSA-N
XLogP4.11
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60943071
N-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 62346309
N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60942944
N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 62346872
N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 55113462
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 62351715
N-[(5-ethylfuran-2-yl)methyl]pyridin-3-amine
CID 62347373
4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 55060081
N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60943832
N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 104854359
N-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 63646400
N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline
CID 62345235

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline (CID 62346531) is N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline is CCc1ccc(CNc2ccc(-c3cnco3)cc2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is BGWOIVAJUBETAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-14-7-8-15(20-14)9-18-13-5-3-12(4-6-13)16-10-17-11-19-16/h3-8,10-11,18H,2,9H2,1H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 268.32 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 62346531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).