N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine

C19H22N6O2 — CID 112863112

IUPACN-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCOc1ccccc1N1CCN(c2cc(Nc3cc(C)on3)ncn2)CC1
InChIInChI=1S/C19H22N6O2/c1-14-11-18(23-27-14)22-17-12-19(21-13-20-17)25-9-7-24(8-10-25)15-5-3-4-6-16(15)26-2/h3-6,11-13H,7-10H2,1-2H3,(H,20,21,22,23)
InChIKeyLEJURMSSSUGOSW-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.85
Rot. Bonds5

About N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine

N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 112863112) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
PubChem CID112863112
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCOc1ccccc1N1CCN(c2cc(Nc3cc(C)on3)ncn2)CC1
InChIInChI=1S/C19H22N6O2/c1-14-11-18(23-27-14)22-17-12-19(21-13-20-17)25-9-7-24(8-10-25)15-5-3-4-6-16(15)26-2/h3-6,11-13H,7-10H2,1-2H3,(H,20,21,22,23)
InChIKeyLEJURMSSSUGOSW-UHFFFAOYSA-N
XLogP2.85
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[3-fluoro-4-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]urea
CID 135271570
6-[4-(2-methoxyphenyl)piperazin-1-yl]-9-phenyl-7H-purin-8-one
CID 127029936
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]urea
CID 137642299
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[3-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]urea
CID 137648529
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[3-fluoro-4-(6-piperidin-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 137653011
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-ylamino)-3-methoxyphenyl]urea
CID 162666545
US10172856, Example 95
CID 135353318
US10172856, Example 14
CID 135353327
US10172856, Example 3
CID 135353339
N4-(2-methoxyphenyl)-N2-methyl-5-nitro-N2-phenylpyrimidine-2,4,6-triamine
CID 4921524
1-(2-Methoxyphenyl)-4-{3-methyl-[1,2]oxazolo[5,4-D]pyrimidin-4-YL}piperazine
CID 16034623
N-(2-methoxyphenyl)-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56675787

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine (CID 112863112) is N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine is COc1ccccc1N1CCN(c2cc(Nc3cc(C)on3)ncn2)CC1.
What is the InChIKey of N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is LEJURMSSSUGOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-14-11-18(23-27-14)22-17-12-19(21-13-20-17)25-9-7-24(8-10-25)15-5-3-4-6-16(15)26-2/h3-6,11-13H,7-10H2,1-2H3,(H,20,21,22,23).
What are the key properties of N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 366.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 112863112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).