3-(4-methoxyphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine

C18H19N5O3 — CID 146018837

IUPAC3-(4-methoxyphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
InChIInChI=1S/C18H19N5O3/c1-24-14-4-2-13(3-5-14)15-12-17(26-22-15)20-16-6-7-19-18(21-16)23-8-10-25-11-9-23/h2-7,12H,8-11H2,1H3,(H,19,20,21)
InChIKeyWRCGBYNVBFVRTN-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.72
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine

3-(4-methoxyphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine (PubChem CID 146018837) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine
PubChem CID146018837
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name3-(4-methoxyphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1
InChIInChI=1S/C18H19N5O3/c1-24-14-4-2-13(3-5-14)15-12-17(26-22-15)20-16-6-7-19-18(21-16)23-8-10-25-11-9-23/h2-7,12H,8-11H2,1H3,(H,19,20,21)
InChIKeyWRCGBYNVBFVRTN-UHFFFAOYSA-N
XLogP2.72
TPSA85.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[benzyl(ethyl)amino]-4-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
CID 25218728
(2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]amino]propanoic acid
CID 53326283
N-{4-[5-(4-methoxybenzyl)-1,2,4-oxadiazol-3-yl]phenyl}nicotinamide
CID 3242078
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine
CID 11495368
7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine
CID 146589040
N-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
CID 3232843
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3233895
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3233966
N-[(2-ethoxyphenyl)methyl]-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 16023670
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 20924832
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methyl-2-pyridinyl)benzamide
CID 25162694
N-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]-2-phenoxypropanamide
CID 44597224

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine (CID 146018837) is 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine is COc1ccc(-c2cc(Nc3ccnc(N4CCOCC4)n3)on2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine?
The InChIKey is WRCGBYNVBFVRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-24-14-4-2-13(3-5-14)15-12-17(26-22-15)20-16-6-7-19-18(21-16)23-8-10-25-11-9-23/h2-7,12H,8-11H2,1H3,(H,19,20,21).
What are the key properties of 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine?
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine has a molecular weight of 353.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 146018837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).