N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrimidin-4-amine

C26H17ClF2N4O2 — CID 142726436

IUPACN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrimidin-4-amine
SMILESFc1cccc(COc2ccc(Nc3ncncc3-c3cc(-c4ccccc4F)no3)cc2Cl)c1
InChIInChI=1S/C26H17ClF2N4O2/c27-21-11-18(8-9-24(21)34-14-16-4-3-5-17(28)10-16)32-26-20(13-30-15-31-26)25-12-23(33-35-25)19-6-1-2-7-22(19)29/h1-13,15H,14H2,(H,30,31,32)
InChIKeyHSXMLZAWLVVVMX-UHFFFAOYSA-N
MW490.90 g/mol
LogP7.05
Rot. Bonds7

About N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrimidin-4-amine

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrimidin-4-amine (PubChem CID 142726436) has the molecular formula C26H17ClF2N4O2 and a molecular weight of 490.90 g/mol. Its IUPAC name is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrimidin-4-amine
PubChem CID142726436
Molecular FormulaC26H17ClF2N4O2
Molecular Weight490.90 g/mol
Exact Mass490.10
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrimidin-4-amine
SMILESFc1cccc(COc2ccc(Nc3ncncc3-c3cc(-c4ccccc4F)no3)cc2Cl)c1
InChIInChI=1S/C26H17ClF2N4O2/c27-21-11-18(8-9-24(21)34-14-16-4-3-5-17(28)10-16)32-26-20(13-30-15-31-26)25-12-23(33-35-25)19-6-1-2-7-22(19)29/h1-13,15H,14H2,(H,30,31,32)
InChIKeyHSXMLZAWLVVVMX-UHFFFAOYSA-N
XLogP7.05
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.90
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(aminomethyl)-1,2-oxazol-5-yl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrimidin-4-amine
CID 142709238
4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 162624249
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrimidin-4-amine
CID 11496868
6-bromo-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]phthalazin-1-amine
CID 118364938
5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-fluoroquinazolin-6-yl]furan-2-carbaldehyde
CID 22018105
[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]boronic acid
CID 21071164
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine
CID 71662068
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[3-(methylamino)prop-1-ynyl]thieno[2,3-d]pyrimidin-4-amine
CID 59982251
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-ethylphenyl)quinazolin-4-amine;ethane
CID 171539522
2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]acetic acid
CID 141203089
3-[7-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenol
CID 143115576
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[(3-fluorophenyl)methoxy]aniline
CID 168584076

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrimidin-4-amine?
The IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrimidin-4-amine (CID 142726436) is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrimidin-4-amine?
The canonical SMILES for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrimidin-4-amine is Fc1cccc(COc2ccc(Nc3ncncc3-c3cc(-c4ccccc4F)no3)cc2Cl)c1.
What is the InChIKey of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrimidin-4-amine?
The InChIKey is HSXMLZAWLVVVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF2N4O2/c27-21-11-18(8-9-24(21)34-14-16-4-3-5-17(28)10-16)32-26-20(13-30-15-31-26)25-12-23(33-35-25)19-6-1-2-7-22(19)29/h1-13,15H,14H2,(H,30,31,32).
What are the key properties of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrimidin-4-amine?
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrimidin-4-amine has a molecular weight of 490.90 g/mol, XLogP of 7.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 142726436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).