N-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide

C22H27N5O3 — CID 97344503

IUPACN-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cn[nH]c2[C@H]2CCCN(Cc3nc(C)c(C)o3)C2)cc1
InChIInChI=1S/C22H27N5O3/c1-14-15(2)30-20(24-14)13-27-10-4-5-17(12-27)21-19(11-23-26-21)25-22(28)16-6-8-18(29-3)9-7-16/h6-9,11,17H,4-5,10,12-13H2,1-3H3,(H,23,26)(H,25,28)/t17-/m0/s1
InChIKeyFTEHQLKEKHIPFR-KRWDZBQOSA-N
MW409.49 g/mol
LogP3.66
Rot. Bonds6

About N-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide

N-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide (PubChem CID 97344503) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide
PubChem CID97344503
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cn[nH]c2[C@H]2CCCN(Cc3nc(C)c(C)o3)C2)cc1
InChIInChI=1S/C22H27N5O3/c1-14-15(2)30-20(24-14)13-27-10-4-5-17(12-27)21-19(11-23-26-21)25-22(28)16-6-8-18(29-3)9-7-16/h6-9,11,17H,4-5,10,12-13H2,1-3H3,(H,23,26)(H,25,28)/t17-/m0/s1
InChIKeyFTEHQLKEKHIPFR-KRWDZBQOSA-N
XLogP3.66
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75474491
4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97344525
4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97344523
(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95844793
1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474473
N-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-4-yl]benzamide
CID 146088409
N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343253
N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343239
N-[5-[1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473815
(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
CID 107226246
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96513943
N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473820

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide?
The IUPAC name of N-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide (CID 97344503) is N-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide?
The canonical SMILES for N-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cn[nH]c2[C@H]2CCCN(Cc3nc(C)c(C)o3)C2)cc1.
What is the InChIKey of N-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide?
The InChIKey is FTEHQLKEKHIPFR-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-14-15(2)30-20(24-14)13-27-10-4-5-17(12-27)21-19(11-23-26-21)25-22(28)16-6-8-18(29-3)9-7-16/h6-9,11,17H,4-5,10,12-13H2,1-3H3,(H,23,26)(H,25,28)/t17-/m0/s1.
What are the key properties of N-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide?
N-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide has a molecular weight of 409.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 97344503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).