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

C16H16N2O3 — CID 71736990

IUPAC3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCOc1cc(NCc2ccc(C)o2)ccc1-c1cnco1
InChIInChI=1S/C16H16N2O3/c1-11-3-5-13(21-11)8-18-12-4-6-14(15(7-12)19-2)16-9-17-10-20-16/h3-7,9-10,18H,8H2,1-2H3
InChIKeySCVLCUJLVCQMNZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.86
Rot. Bonds5

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

3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline (PubChem CID 71736990) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound Name3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
PubChem CID71736990
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCOc1cc(NCc2ccc(C)o2)ccc1-c1cnco1
InChIInChI=1S/C16H16N2O3/c1-11-3-5-13(21-11)8-18-12-4-6-14(15(7-12)19-2)16-9-17-10-20-16/h3-7,9-10,18H,8H2,1-2H3
InChIKeySCVLCUJLVCQMNZ-UHFFFAOYSA-N
XLogP3.86
TPSA60.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]oxamide
CID 20766904
2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol
CID 43743697
3-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43380614
ethane;5-(2-methoxy-4-methylphenyl)-1,3-oxazole
CID 143041662
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 12051287
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine
CID 23563141
3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline
CID 142947868
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide
CID 90177469
N-(1,3-dioxolan-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766594
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazol-2-amine
CID 22459619
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of 3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline (CID 71736990) is 3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for 3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for 3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline is COc1cc(NCc2ccc(C)o2)ccc1-c1cnco1.
What is the InChIKey of 3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is SCVLCUJLVCQMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-3-5-13(21-11)8-18-12-4-6-14(15(7-12)19-2)16-9-17-10-20-16/h3-7,9-10,18H,8H2,1-2H3.
What are the key properties of 3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline?
3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 284.32 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 71736990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).