ethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane

C23H31FN2O3 — CID 177246951

IUPACethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane
SMILESCC.CCC.COc1ncc(-c2c(C)noc2C)cc1OCc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3.C3H8.C2H6/c1-11-17(12(2)24-21-11)14-8-16(18(22-3)20-9-14)23-10-13-4-6-15(19)7-5-13;1-3-2;1-2/h4-9H,10H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyPMWCDZPEVQVSOH-UHFFFAOYSA-N
MW402.51 g/mol
LogP6.52
Rot. Bonds5

About ethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane

ethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane (PubChem CID 177246951) has the molecular formula C23H31FN2O3 and a molecular weight of 402.51 g/mol. Its IUPAC name is ethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane.

Molecular Properties

Compound Nameethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane
PubChem CID177246951
Molecular FormulaC23H31FN2O3
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC Nameethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane
SMILESCC.CCC.COc1ncc(-c2c(C)noc2C)cc1OCc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3.C3H8.C2H6/c1-11-17(12(2)24-21-11)14-8-16(18(22-3)20-9-14)23-10-13-4-6-15(19)7-5-13;1-3-2;1-2/h4-9H,10H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyPMWCDZPEVQVSOH-UHFFFAOYSA-N
XLogP6.52
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.51
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane with MolForge

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Related Compounds

4-(6-methoxy-5-methyl-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
CID 147829437
3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole
CID 177357080
5-(4-fluorophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287470
4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile
CID 121379551
5-[(4-fluorophenyl)methoxy]-2-[4-(2-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 135652684
5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile
CID 121379560
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 90234030
5-ethyl-3-(4-fluorophenyl)-2-methoxypyridine
CID 163866261
3,5-dimethyl-4-[3-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole
CID 86267710
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789

Frequently Asked Questions

What is the IUPAC name of ethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane?
The IUPAC name of ethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane (CID 177246951) is ethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane.
What is the SMILES notation for ethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane?
The canonical SMILES for ethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane is CC.CCC.COc1ncc(-c2c(C)noc2C)cc1OCc1ccc(F)cc1.
What is the InChIKey of ethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane?
The InChIKey is PMWCDZPEVQVSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3.C3H8.C2H6/c1-11-17(12(2)24-21-11)14-8-16(18(22-3)20-9-14)23-10-13-4-6-15(19)7-5-13;1-3-2;1-2/h4-9H,10H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane?
ethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane has a molecular weight of 402.51 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane is sourced from PubChem (CID 177246951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).