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

C24H29N5O3 — CID 110084624

IUPAC2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCN2Cc2ccc(OCc3c(C)noc3C)cc2)ncc1C(N)=O
InChIInChI=1S/C24H29N5O3/c1-15-20(23(25)30)12-26-24(27-15)22-6-4-5-11-29(22)13-18-7-9-19(10-8-18)31-14-21-16(2)28-32-17(21)3/h7-10,12,22H,4-6,11,13-14H2,1-3H3,(H2,25,30)
InChIKeyRRPQNGHIEZMLJE-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.79
Rot. Bonds7

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

2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 110084624) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID110084624
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCN2Cc2ccc(OCc3c(C)noc3C)cc2)ncc1C(N)=O
InChIInChI=1S/C24H29N5O3/c1-15-20(23(25)30)12-26-24(27-15)22-6-4-5-11-29(22)13-18-7-9-19(10-8-18)31-14-21-16(2)28-32-17(21)3/h7-10,12,22H,4-6,11,13-14H2,1-3H3,(H2,25,30)
InChIKeyRRPQNGHIEZMLJE-UHFFFAOYSA-N
XLogP3.79
TPSA107.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110084616
2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
CID 110084895
N-benzyl-2-[1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 175660224
N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92639751
N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247725
2-[(2S)-1-benzylpiperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637314
2-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247543
2-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 110247487
2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95805927
1-[2-(1-aminoethyl)piperidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone
CID 119259954
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 4789023
N-cyclopentyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 9265218

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide (CID 110084624) is 2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide is Cc1nc(C2CCCCN2Cc2ccc(OCc3c(C)noc3C)cc2)ncc1C(N)=O.
What is the InChIKey of 2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is RRPQNGHIEZMLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-15-20(23(25)30)12-26-24(27-15)22-6-4-5-11-29(22)13-18-7-9-19(10-8-18)31-14-21-16(2)28-32-17(21)3/h7-10,12,22H,4-6,11,13-14H2,1-3H3,(H2,25,30).
What are the key properties of 2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110084624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).