[[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate

C23H21N3O5 — CID 87365849

IUPAC[[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate
SMILESCOc1ccc(C2(c3cccc(-c4cncc(OC)c4)c3)COC(NOC=O)=N2)cc1
InChIInChI=1S/C23H21N3O5/c1-28-20-8-6-18(7-9-20)23(14-30-22(25-23)26-31-15-27)19-5-3-4-16(10-19)17-11-21(29-2)13-24-12-17/h3-13,15H,14H2,1-2H3,(H,25,26)
InChIKeyYLLPAUNRJWSCND-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.07
Rot. Bonds7

About [[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate

[[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate (PubChem CID 87365849) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is [[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate.

Molecular Properties

Compound Name[[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate
PubChem CID87365849
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name[[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate
SMILESCOc1ccc(C2(c3cccc(-c4cncc(OC)c4)c3)COC(NOC=O)=N2)cc1
InChIInChI=1S/C23H21N3O5/c1-28-20-8-6-18(7-9-20)23(14-30-22(25-23)26-31-15-27)19-5-3-4-16(10-19)17-11-21(29-2)13-24-12-17/h3-13,15H,14H2,1-2H3,(H,25,26)
InChIKeyYLLPAUNRJWSCND-UHFFFAOYSA-N
XLogP3.07
TPSA91.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[(4S)-4-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate
CID 87364761
[4-(4-methoxyphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]carbamic acid
CID 91239148
[[4-[3-(3-chlorophenyl)phenyl]-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87365560
[[4-(4-ethoxyphenyl)-4-[3-(2-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate
CID 87366014
[[4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364471
[[4-(3-methyl-4-propan-2-yloxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364987
[[4-[4-(difluoromethoxy)-2-methylphenyl]-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364784
formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine
CID 67347084
[[4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrazin-2-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364675
4-(3-fluoro-4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazole
CID 91605781
4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane
CID 143850368
5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 54761220

Frequently Asked Questions

What is the IUPAC name of [[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate?
The IUPAC name of [[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate (CID 87365849) is [[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate.
What is the SMILES notation for [[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate?
The canonical SMILES for [[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate is COc1ccc(C2(c3cccc(-c4cncc(OC)c4)c3)COC(NOC=O)=N2)cc1.
What is the InChIKey of [[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate?
The InChIKey is YLLPAUNRJWSCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-28-20-8-6-18(7-9-20)23(14-30-22(25-23)26-31-15-27)19-5-3-4-16(10-19)17-11-21(29-2)13-24-12-17/h3-13,15H,14H2,1-2H3,(H,25,26).
What are the key properties of [[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate?
[[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate has a molecular weight of 419.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate is sourced from PubChem (CID 87365849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).