3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide

C21H26N6O2 — CID 122325701

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide
SMILESCCNc1nc(C)cc(Nc2ccc(NC(=O)CCc3c(C)noc3C)cc2)n1
InChIInChI=1S/C21H26N6O2/c1-5-22-21-23-13(2)12-19(26-21)24-16-6-8-17(9-7-16)25-20(28)11-10-18-14(3)27-29-15(18)4/h6-9,12H,5,10-11H2,1-4H3,(H,25,28)(H2,22,23,24,26)
InChIKeyILCKZCJABDGWED-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.14
Rot. Bonds8

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide (PubChem CID 122325701) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide
PubChem CID122325701
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide
SMILESCCNc1nc(C)cc(Nc2ccc(NC(=O)CCc3c(C)noc3C)cc2)n1
InChIInChI=1S/C21H26N6O2/c1-5-22-21-23-13(2)12-19(26-21)24-16-6-8-17(9-7-16)25-20(28)11-10-18-14(3)27-29-15(18)4/h6-9,12H,5,10-11H2,1-4H3,(H,25,28)(H2,22,23,24,26)
InChIKeyILCKZCJABDGWED-UHFFFAOYSA-N
XLogP4.14
TPSA104.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide with MolForge

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Related Compounds

N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122325817
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1,2-oxazole-5-carboxamide
CID 122325693
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 61221265
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 8623625
5-cyclopropyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide
CID 122325758
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]furan-3-carboxamide
CID 122325764
(E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 122325645
N-(2,6-diethylphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 30843324
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 122325725
2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzoic acid
CID 119164210
3-chloro-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 53047804
N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 146021965

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide (CID 122325701) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide is CCNc1nc(C)cc(Nc2ccc(NC(=O)CCc3c(C)noc3C)cc2)n1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide?
The InChIKey is ILCKZCJABDGWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-5-22-21-23-13(2)12-19(26-21)24-16-6-8-17(9-7-16)25-20(28)11-10-18-14(3)27-29-15(18)4/h6-9,12H,5,10-11H2,1-4H3,(H,25,28)(H2,22,23,24,26).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide has a molecular weight of 394.48 g/mol, XLogP of 4.14, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide is sourced from PubChem (CID 122325701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).