2-[(3,4-dimethoxyphenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine

C17H20N2O4 — CID 141063367

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine
SMILESCOc1ccc(CN2OC(N)=CC2c2ccc(C)o2)cc1OC
InChIInChI=1S/C17H20N2O4/c1-11-4-6-14(22-11)13-9-17(18)23-19(13)10-12-5-7-15(20-2)16(8-12)21-3/h4-9,13H,10,18H2,1-3H3
InChIKeyVVELOCFVUPRWOX-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.89
Rot. Bonds5

About 2-[(3,4-dimethoxyphenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine

2-[(3,4-dimethoxyphenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063367) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063367
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine
SMILESCOc1ccc(CN2OC(N)=CC2c2ccc(C)o2)cc1OC
InChIInChI=1S/C17H20N2O4/c1-11-4-6-14(22-11)13-9-17(18)23-19(13)10-12-5-7-15(20-2)16(8-12)21-3/h4-9,13H,10,18H2,1-3H3
InChIKeyVVELOCFVUPRWOX-UHFFFAOYSA-N
XLogP2.89
TPSA70.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-difluorophenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine
CID 141063398
(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one
CID 124503214
2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium
CID 7323736
1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine
CID 79506309
(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine
CID 784275
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800
5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one
CID 79355225
(2R,6R)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 756427
3-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
CID 92732537
2-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436661
1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one
CID 141173385
4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484402

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine (CID 141063367) is 2-[(3,4-dimethoxyphenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine is COc1ccc(CN2OC(N)=CC2c2ccc(C)o2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is VVELOCFVUPRWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-4-6-14(22-11)13-9-17(18)23-19(13)10-12-5-7-15(20-2)16(8-12)21-3/h4-9,13H,10,18H2,1-3H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine?
2-[(3,4-dimethoxyphenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 316.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).