5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine

C16H15FN4O3 — CID 137334221

IUPAC5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
SMILESCOc1cccc(-c2cc(CNc3ncc(F)c(OC)n3)on2)c1
InChIInChI=1S/C16H15FN4O3/c1-22-11-5-3-4-10(6-11)14-7-12(24-21-14)8-18-16-19-9-13(17)15(20-16)23-2/h3-7,9H,8H2,1-2H3,(H,18,19,20)
InChIKeyCKMJNOHQNDVRDD-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.90
Rot. Bonds6

About 5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine

5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine (PubChem CID 137334221) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
PubChem CID137334221
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC Name5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
SMILESCOc1cccc(-c2cc(CNc3ncc(F)c(OC)n3)on2)c1
InChIInChI=1S/C16H15FN4O3/c1-22-11-5-3-4-10(6-11)14-7-12(24-21-14)8-18-16-19-9-13(17)15(20-16)23-2/h3-7,9H,8H2,1-2H3,(H,18,19,20)
InChIKeyCKMJNOHQNDVRDD-UHFFFAOYSA-N
XLogP2.90
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate
CID 68817763
N-[(4-tert-butylphenyl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 137336755
3-(3-methoxyphenyl)-N-methyl-1,2-oxazol-5-amine
CID 134400305
2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80797043
5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
CID 84708024
4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 71655715
3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 58157241
3-(3-methoxyphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760747
5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine
CID 121221051
N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 154903600
4-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-N-[(3-pyrimidin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 23642169
(1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 118769027

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine (CID 137334221) is 5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine is COc1cccc(-c2cc(CNc3ncc(F)c(OC)n3)on2)c1.
What is the InChIKey of 5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine?
The InChIKey is CKMJNOHQNDVRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c1-22-11-5-3-4-10(6-11)14-7-12(24-21-14)8-18-16-19-9-13(17)15(20-16)23-2/h3-7,9H,8H2,1-2H3,(H,18,19,20).
What are the key properties of 5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine has a molecular weight of 330.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 137334221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).