(4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine

C24H24F2N4O3 — CID 67348182

IUPAC(4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine
SMILESCCOCc1cc(-c2cncnc2)cc([C@@]2(c3ccc(OC(F)F)c(C)c3)COC(N)=N2)c1
InChIInChI=1S/C24H24F2N4O3/c1-3-31-12-16-7-17(18-10-28-14-29-11-18)9-20(8-16)24(13-32-23(27)30-24)19-4-5-21(15(2)6-19)33-22(25)26/h4-11,14,22H,3,12-13H2,1-2H3,(H2,27,30)/t24-/m0/s1
InChIKeyBTHFWOATZUNIAQ-DEOSSOPVSA-N
MW454.48 g/mol
LogP4.18
Rot. Bonds8

About (4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine

(4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine (PubChem CID 67348182) has the molecular formula C24H24F2N4O3 and a molecular weight of 454.48 g/mol. Its IUPAC name is (4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine
PubChem CID67348182
Molecular FormulaC24H24F2N4O3
Molecular Weight454.48 g/mol
Exact Mass454.18
IUPAC Name(4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine
SMILESCCOCc1cc(-c2cncnc2)cc([C@@]2(c3ccc(OC(F)F)c(C)c3)COC(N)=N2)c1
InChIInChI=1S/C24H24F2N4O3/c1-3-31-12-16-7-17(18-10-28-14-29-11-18)9-20(8-16)24(13-32-23(27)30-24)19-4-5-21(15(2)6-19)33-22(25)26/h4-11,14,22H,3,12-13H2,1-2H3,(H2,27,30)/t24-/m0/s1
InChIKeyBTHFWOATZUNIAQ-DEOSSOPVSA-N
XLogP4.18
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine
CID 67347062
(4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine
CID 67346114
(4S)-4-[3-(6-chloropyrazin-2-yl)phenyl]-4-[4-(difluoromethoxy)-3-methylphenyl]-5H-1,3-oxazol-2-amine
CID 87365954
4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67347587
4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrazin-2-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67345684
[[4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364471
4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol
CID 143850366
5-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]-2-(difluoromethoxy)phenol
CID 162557304
(4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine
CID 68626396
[[4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrazin-2-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364675
4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine
CID 161115031
5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one
CID 153339137

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine (CID 67348182) is (4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine is CCOCc1cc(-c2cncnc2)cc([C@@]2(c3ccc(OC(F)F)c(C)c3)COC(N)=N2)c1.
What is the InChIKey of (4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine?
The InChIKey is BTHFWOATZUNIAQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24F2N4O3/c1-3-31-12-16-7-17(18-10-28-14-29-11-18)9-20(8-16)24(13-32-23(27)30-24)19-4-5-21(15(2)6-19)33-22(25)26/h4-11,14,22H,3,12-13H2,1-2H3,(H2,27,30)/t24-/m0/s1.
What are the key properties of (4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine?
(4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine has a molecular weight of 454.48 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 67348182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).