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

C18H18N2O3 — CID 73355469

IUPAC3-methoxy-N-[(4-methoxyphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCOc1ccc(CNc2ccc(-c3cnco3)c(OC)c2)cc1
InChIInChI=1S/C18H18N2O3/c1-21-15-6-3-13(4-7-15)10-20-14-5-8-16(17(9-14)22-2)18-11-19-12-23-18/h3-9,11-12,20H,10H2,1-2H3
InChIKeySJGSZJAVHYOGAA-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.97
Rot. Bonds6

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

3-methoxy-N-[(4-methoxyphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline (PubChem CID 73355469) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-methoxy-N-[(4-methoxyphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound Name3-methoxy-N-[(4-methoxyphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
PubChem CID73355469
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-methoxy-N-[(4-methoxyphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCOc1ccc(CNc2ccc(-c3cnco3)c(OC)c2)cc1
InChIInChI=1S/C18H18N2O3/c1-21-15-6-3-13(4-7-15)10-20-14-5-8-16(17(9-14)22-2)18-11-19-12-23-18/h3-9,11-12,20H,10H2,1-2H3
InChIKeySJGSZJAVHYOGAA-UHFFFAOYSA-N
XLogP3.97
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
CID 86582964
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
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CID 121363302
(2S)-6-ethyl-N-[(1S)-1-[5-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506686
N-[4-(5-oxazolyl)phenyl]benzamide
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3-Methoxy-4-(oxazol-5-yl)aniline
CID 15462732
tetrahydrofuran-3-yl N-[[3-[(3-methoxy-4-oxazol-5-yl-phenyl)carbamoylamino]phenyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(4-methoxyphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of 3-methoxy-N-[(4-methoxyphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline (CID 73355469) is 3-methoxy-N-[(4-methoxyphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for 3-methoxy-N-[(4-methoxyphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for 3-methoxy-N-[(4-methoxyphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline is COc1ccc(CNc2ccc(-c3cnco3)c(OC)c2)cc1.
What is the InChIKey of 3-methoxy-N-[(4-methoxyphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is SJGSZJAVHYOGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-21-15-6-3-13(4-7-15)10-20-14-5-8-16(17(9-14)22-2)18-11-19-12-23-18/h3-9,11-12,20H,10H2,1-2H3.
What are the key properties of 3-methoxy-N-[(4-methoxyphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
3-methoxy-N-[(4-methoxyphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 310.35 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(4-methoxyphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 73355469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).