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

C16H16N2O2 — CID 60935318

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline
SMILESCc1ccc(C(C)Nc2cccc(-c3cnco3)c2)o1
InChIInChI=1S/C16H16N2O2/c1-11-6-7-15(20-11)12(2)18-14-5-3-4-13(8-14)16-9-17-10-19-16/h3-10,12,18H,1-2H3
InChIKeyMTMMOOHLVYLNSF-UHFFFAOYSA-N
MW268.32 g/mol
LogP4.42
Rot. Bonds4

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

N-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline (PubChem CID 60935318) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline
PubChem CID60935318
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline
SMILESCc1ccc(C(C)Nc2cccc(-c3cnco3)c2)o1
InChIInChI=1S/C16H16N2O2/c1-11-6-7-15(20-11)12(2)18-14-5-3-4-13(8-14)16-9-17-10-19-16/h3-10,12,18H,1-2H3
InChIKeyMTMMOOHLVYLNSF-UHFFFAOYSA-N
XLogP4.42
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline (CID 60935318) is N-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline is Cc1ccc(C(C)Nc2cccc(-c3cnco3)c2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline?
The InChIKey is MTMMOOHLVYLNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-6-7-15(20-11)12(2)18-14-5-3-4-13(8-14)16-9-17-10-19-16/h3-10,12,18H,1-2H3.
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline?
N-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline has a molecular weight of 268.32 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 60935318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).