N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1,4-dimethylpyrazole-5-carboxamide

C23H29N5O3 — CID 163277197

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1,4-dimethylpyrazole-5-carboxamide
SMILESCc1cnn(C)c1C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)noc2C)c1
InChIInChI=1S/C23H29N5O3/c1-14-12-25-28(4)22(14)23(29)26-17-8-9-20(30-13-18-7-5-6-10-24-18)19(11-17)21-15(2)27-31-16(21)3/h8-9,11-12,18,24H,5-7,10,13H2,1-4H3,(H,26,29)/t18-/m1/s1
InChIKeyWADDMEGXRZOGFH-GOSISDBHSA-N
MW423.52 g/mol
LogP3.77
Rot. Bonds6

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1,4-dimethylpyrazole-5-carboxamide

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1,4-dimethylpyrazole-5-carboxamide (PubChem CID 163277197) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1,4-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1,4-dimethylpyrazole-5-carboxamide
PubChem CID163277197
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1,4-dimethylpyrazole-5-carboxamide
SMILESCc1cnn(C)c1C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)noc2C)c1
InChIInChI=1S/C23H29N5O3/c1-14-12-25-28(4)22(14)23(29)26-17-8-9-20(30-13-18-7-5-6-10-24-18)19(11-17)21-15(2)27-31-16(21)3/h8-9,11-12,18,24H,5-7,10,13H2,1-4H3,(H,26,29)/t18-/m1/s1
InChIKeyWADDMEGXRZOGFH-GOSISDBHSA-N
XLogP3.77
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-benzyl-N-[(3S)-5-methyl-4-oxo-7-(1H-pyrazol-5-yl)-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 118557491
N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
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N-(1-benzylpyrazol-4-yl)-3-(furan-2-yl)-1,2-oxazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1,4-dimethylpyrazole-5-carboxamide?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1,4-dimethylpyrazole-5-carboxamide (CID 163277197) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1,4-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1,4-dimethylpyrazole-5-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1,4-dimethylpyrazole-5-carboxamide is Cc1cnn(C)c1C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)noc2C)c1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1,4-dimethylpyrazole-5-carboxamide?
The InChIKey is WADDMEGXRZOGFH-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-14-12-25-28(4)22(14)23(29)26-17-8-9-20(30-13-18-7-5-6-10-24-18)19(11-17)21-15(2)27-31-16(21)3/h8-9,11-12,18,24H,5-7,10,13H2,1-4H3,(H,26,29)/t18-/m1/s1.
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1,4-dimethylpyrazole-5-carboxamide?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1,4-dimethylpyrazole-5-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1,4-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 163277197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).