2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile

C20H19N3O3 — CID 713854

IUPAC2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(OCc2nc(C#N)c(N[C@@H](C)c3ccccc3)o2)cc1
InChIInChI=1S/C20H19N3O3/c1-14(15-6-4-3-5-7-15)22-20-18(12-21)23-19(26-20)13-25-17-10-8-16(24-2)9-11-17/h3-11,14,22H,13H2,1-2H3/t14-/m0/s1
InChIKeyBFIWLTQVBXPJLZ-AWEZNQCLSA-N
MW349.39 g/mol
LogP4.31
Rot. Bonds7

About 2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile

2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile (PubChem CID 713854) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile
PubChem CID713854
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(OCc2nc(C#N)c(N[C@@H](C)c3ccccc3)o2)cc1
InChIInChI=1S/C20H19N3O3/c1-14(15-6-4-3-5-7-15)22-20-18(12-21)23-19(26-20)13-25-17-10-8-16(24-2)9-11-17/h3-11,14,22H,13H2,1-2H3/t14-/m0/s1
InChIKeyBFIWLTQVBXPJLZ-AWEZNQCLSA-N
XLogP4.31
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(4-chlorophenoxy)methyl]furan-2-yl]-5-[[(1R)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 51439029
2-[2-(4-ethoxyphenyl)ethenyl]-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 4750720
5-(furan-2-ylmethylamino)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 750998
2-[(4-chlorophenoxy)methyl]-5-[[2-(diethylamino)-2-phenylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 46299786
2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 3845513
5-[(4-methylphenyl)methylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
CID 829684
5-(ethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 3152479
5-(ethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 1080237
2-[5-[(2-chlorophenoxy)methyl]furan-2-yl]-5-[[(1R)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 51662134
2-(1,3-benzodioxol-5-yloxymethyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
CID 39308513
2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
CID 18822806
2-[(2-methylphenoxy)methyl]-5-(2-methylpropylamino)-1,3-oxazole-4-carbonitrile
CID 976751

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile (CID 713854) is 2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile is COc1ccc(OCc2nc(C#N)c(N[C@@H](C)c3ccccc3)o2)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile?
The InChIKey is BFIWLTQVBXPJLZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14(15-6-4-3-5-7-15)22-20-18(12-21)23-19(26-20)13-25-17-10-8-16(24-2)9-11-17/h3-11,14,22H,13H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile?
2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 713854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).