2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide

C25H31N5O3 — CID 110084616

IUPAC2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccc(CN2CCCCC2c2ncc(C(N)=O)c(C)n2)cc1Cc1c(C)noc1C
InChIInChI=1S/C25H31N5O3/c1-15-21(24(26)31)13-27-25(28-15)22-7-5-6-10-30(22)14-18-8-9-23(32-4)19(11-18)12-20-16(2)29-33-17(20)3/h8-9,11,13,22H,5-7,10,12,14H2,1-4H3,(H2,26,31)
InChIKeyMYMPRJPCZYMUAT-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.82
Rot. Bonds7

About 2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide

2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 110084616) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID110084616
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccc(CN2CCCCC2c2ncc(C(N)=O)c(C)n2)cc1Cc1c(C)noc1C
InChIInChI=1S/C25H31N5O3/c1-15-21(24(26)31)13-27-25(28-15)22-7-5-6-10-30(22)14-18-8-9-23(32-4)19(11-18)12-20-16(2)29-33-17(20)3/h8-9,11,13,22H,5-7,10,12,14H2,1-4H3,(H2,26,31)
InChIKeyMYMPRJPCZYMUAT-UHFFFAOYSA-N
XLogP3.82
TPSA107.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide 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

2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110084624
2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
CID 110084895
2-[(2S)-1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92639894
N-[(4-fluorophenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247738
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110247632
5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-methoxyphenol
CID 50809373
2-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247543
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 110247512
2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95805927
N-(4-fluorophenyl)-2-[(2S)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 129361184
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110247517
2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95830196

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide (CID 110084616) is 2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide is COc1ccc(CN2CCCCC2c2ncc(C(N)=O)c(C)n2)cc1Cc1c(C)noc1C.
What is the InChIKey of 2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is MYMPRJPCZYMUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-15-21(24(26)31)13-27-25(28-15)22-7-5-6-10-30(22)14-18-8-9-23(32-4)19(11-18)12-20-16(2)29-33-17(20)3/h8-9,11,13,22H,5-7,10,12,14H2,1-4H3,(H2,26,31).
What are the key properties of 2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110084616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).