4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]phenol

C25H24N4O3 — CID 155565882

IUPAC4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]phenol
SMILESCOc1ccc(CN2CC(c3ccc(O)cc3)c3cnc(-c4c(C)noc4C)nc32)cc1
InChIInChI=1S/C25H24N4O3/c1-15-23(16(2)32-28-15)24-26-12-21-22(18-6-8-19(30)9-7-18)14-29(25(21)27-24)13-17-4-10-20(31-3)11-5-17/h4-12,22,30H,13-14H2,1-3H3
InChIKeyJRCBDRCRKONLMK-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.61
Rot. Bonds5

About 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]phenol

4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]phenol (PubChem CID 155565882) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]phenol.

Molecular Properties

Compound Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]phenol
PubChem CID155565882
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]phenol
SMILESCOc1ccc(CN2CC(c3ccc(O)cc3)c3cnc(-c4c(C)noc4C)nc32)cc1
InChIInChI=1S/C25H24N4O3/c1-15-23(16(2)32-28-15)24-26-12-21-22(18-6-8-19(30)9-7-18)14-29(25(21)27-24)13-17-4-10-20(31-3)11-5-17/h4-12,22,30H,13-14H2,1-3H3
InChIKeyJRCBDRCRKONLMK-UHFFFAOYSA-N
XLogP4.61
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine
CID 137409201
7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine
CID 137409210
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 3233156
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3233895
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 3235123
N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(4-methoxyphenyl)propyl]imidazo[1,2-a]pyridin-3-amine
CID 137409169
N-tert-butyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine
CID 146589039
N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine
CID 146589317
N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine
CID 146589318
3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2-oxazol-5-amine
CID 156368827
5-(2,5-Dimethylpyrimidin-4-yl)-3-(3-methoxyphenyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 56758307
N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 137410586

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]phenol?
The IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]phenol (CID 155565882) is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]phenol.
What is the SMILES notation for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]phenol?
The canonical SMILES for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]phenol is COc1ccc(CN2CC(c3ccc(O)cc3)c3cnc(-c4c(C)noc4C)nc32)cc1.
What is the InChIKey of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]phenol?
The InChIKey is JRCBDRCRKONLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-15-23(16(2)32-28-15)24-26-12-21-22(18-6-8-19(30)9-7-18)14-29(25(21)27-24)13-17-4-10-20(31-3)11-5-17/h4-12,22,30H,13-14H2,1-3H3.
What are the key properties of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]phenol?
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]phenol has a molecular weight of 428.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]phenol is sourced from PubChem (CID 155565882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).