propan-2-ol;3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one

C33H29F6N3O7 — CID 159714342

IUPACpropan-2-ol;3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
SMILESCC(C)O.CC(C)n1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1
InChIInChI=1S/C16H13F3N2O3.C14H8F3NO3.C3H8O/c1-9(2)21-14-13(23-15(21)22)8-7-12(20-14)10-3-5-11(6-4-10)24-16(17,18)19;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;1-3(2)4/h3-9H,1-2H3;1-6H,7H2;3-4H,1-2H3
InChIKeyMZFVZCRGWOSQHM-UHFFFAOYSA-N
MW693.60 g/mol
LogP7.63
Rot. Bonds5

About propan-2-ol;3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one

propan-2-ol;3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one (PubChem CID 159714342) has the molecular formula C33H29F6N3O7 and a molecular weight of 693.60 g/mol. Its IUPAC name is propan-2-ol;3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Namepropan-2-ol;3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
PubChem CID159714342
Molecular FormulaC33H29F6N3O7
Molecular Weight693.60 g/mol
Exact Mass693.19
IUPAC Namepropan-2-ol;3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
SMILESCC(C)O.CC(C)n1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1
InChIInChI=1S/C16H13F3N2O3.C14H8F3NO3.C3H8O/c1-9(2)21-14-13(23-15(21)22)8-7-12(20-14)10-3-5-11(6-4-10)24-16(17,18)19;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;1-3(2)4/h3-9H,1-2H3;1-6H,7H2;3-4H,1-2H3
InChIKeyMZFVZCRGWOSQHM-UHFFFAOYSA-N
XLogP7.63
TPSA125.91 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.60
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze propan-2-ol;3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-pyrrolidin-1-ylpyridin-3-yl]-4-methoxyphenyl]propanoate
CID 56968292
3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-pyrrolidin-1-ylpyridin-3-yl]-4-methoxyphenyl]propanoic acid
CID 56971378
3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-piperidin-1-ylpyridin-3-yl]-4-methoxyphenyl]propanoic acid
CID 118600518
3-[3-[2-[[5-[3,5-Bis(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-piperidin-1-yl-3-pyridinyl]-4-methoxyphenyl]propanoic acid
CID 123805436
3-[3-[2-[[5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-piperidin-1-yl-3-pyridinyl]-4-methoxyphenyl]propanoic acid
CID 126691674
Tert-butyl 3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoate
CID 135304337
Tert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate
CID 135304341
2-[5-[4-(Difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid
CID 135304345
Tert-butyl 2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate
CID 135304512
Methyl 3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoate
CID 135304530
3-(3-Oxobutyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 135304543
3-[[(2S)-oxan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 142412648

Frequently Asked Questions

What is the IUPAC name of propan-2-ol;3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?
The IUPAC name of propan-2-ol;3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one (CID 159714342) is propan-2-ol;3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one.
What is the SMILES notation for propan-2-ol;3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?
The canonical SMILES for propan-2-ol;3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one is CC(C)O.CC(C)n1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.
What is the InChIKey of propan-2-ol;3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?
The InChIKey is MZFVZCRGWOSQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3.C14H8F3NO3.C3H8O/c1-9(2)21-14-13(23-15(21)22)8-7-12(20-14)10-3-5-11(6-4-10)24-16(17,18)19;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;1-3(2)4/h3-9H,1-2H3;1-6H,7H2;3-4H,1-2H3.
What are the key properties of propan-2-ol;3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?
propan-2-ol;3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one has a molecular weight of 693.60 g/mol, XLogP of 7.63, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol;3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one is sourced from PubChem (CID 159714342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).