N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide

C23H27N5O3 — CID 163276925

IUPACN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)ncnc2C)c1
InChIInChI=1S/C23H27N5O3/c1-14-20(12-31-28-14)23(29)27-17-7-8-21(30-11-18-6-4-5-9-24-18)19(10-17)22-15(2)25-13-26-16(22)3/h7-8,10,12-13,18,24H,4-6,9,11H2,1-3H3,(H,27,29)/t18-/m1/s1
InChIKeyOAOVUAWFVQGDIC-GOSISDBHSA-N
MW421.50 g/mol
LogP3.83
Rot. Bonds6

About N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 163276925) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID163276925
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)ncnc2C)c1
InChIInChI=1S/C23H27N5O3/c1-14-20(12-31-28-14)23(29)27-17-7-8-21(30-11-18-6-4-5-9-24-18)19(10-17)22-15(2)25-13-26-16(22)3/h7-8,10,12-13,18,24H,4-6,9,11H2,1-3H3,(H,27,29)/t18-/m1/s1
InChIKeyOAOVUAWFVQGDIC-GOSISDBHSA-N
XLogP3.83
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 163276925) is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)ncnc2C)c1.
What is the InChIKey of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OAOVUAWFVQGDIC-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-14-20(12-31-28-14)23(29)27-17-7-8-21(30-11-18-6-4-5-9-24-18)19(10-17)22-15(2)25-13-26-16(22)3/h7-8,10,12-13,18,24H,4-6,9,11H2,1-3H3,(H,27,29)/t18-/m1/s1.
What are the key properties of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 163276925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).