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

C24H29N5O3 — CID 110084895

IUPAC2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCN(Cc3ccc(OCc4c(C)noc4C)cc3)CC2)ncc1C(N)=O
InChIInChI=1S/C24H29N5O3/c1-15-21(23(25)30)12-26-24(27-15)19-8-10-29(11-9-19)13-18-4-6-20(7-5-18)31-14-22-16(2)28-32-17(22)3/h4-7,12,19H,8-11,13-14H2,1-3H3,(H2,25,30)
InChIKeyCXGSBNRWHQXELL-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.45
Rot. Bonds7

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

2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 110084895) 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-4-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID110084895
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-4-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCN(Cc3ccc(OCc4c(C)noc4C)cc3)CC2)ncc1C(N)=O
InChIInChI=1S/C24H29N5O3/c1-15-21(23(25)30)12-26-24(27-15)19-8-10-29(11-9-19)13-18-4-6-20(7-5-18)31-14-22-16(2)28-32-17(22)3/h4-7,12,19H,8-11,13-14H2,1-3H3,(H2,25,30)
InChIKeyCXGSBNRWHQXELL-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide (CID 110084895) is 2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-4-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-4-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide is Cc1nc(C2CCN(Cc3ccc(OCc4c(C)noc4C)cc3)CC2)ncc1C(N)=O.
What is the InChIKey of 2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is CXGSBNRWHQXELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-15-21(23(25)30)12-26-24(27-15)19-8-10-29(11-9-19)13-18-4-6-20(7-5-18)31-14-22-16(2)28-32-17(22)3/h4-7,12,19H,8-11,13-14H2,1-3H3,(H2,25,30).
What are the key properties of 2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide?
2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.45, 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-4-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110084895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).