4-(4-methoxyphenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide

C22H31N3O3 — CID 92613867

IUPAC4-(4-methoxyphenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)CCOCC2)cc1
InChIInChI=1S/C22H31N3O3/c1-15(14-20-16(2)24-25(4)17(20)3)23-21(26)22(10-12-28-13-11-22)18-6-8-19(27-5)9-7-18/h6-9,15H,10-14H2,1-5H3,(H,23,26)/t15-/m0/s1
InChIKeyWQZXYWUHKHTDNB-HNNXBMFYSA-N
MW385.51 g/mol
LogP2.84
Rot. Bonds6

About 4-(4-methoxyphenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide

4-(4-methoxyphenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide (PubChem CID 92613867) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide
PubChem CID92613867
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name4-(4-methoxyphenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)CCOCC2)cc1
InChIInChI=1S/C22H31N3O3/c1-15(14-20-16(2)24-25(4)17(20)3)23-21(26)22(10-12-28-13-11-22)18-6-8-19(27-5)9-7-18/h6-9,15H,10-14H2,1-5H3,(H,23,26)/t15-/m0/s1
InChIKeyWQZXYWUHKHTDNB-HNNXBMFYSA-N
XLogP2.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide
CID 46977486
4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 4250680
4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 86207187
4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 46977488
4-(4-methoxyphenyl)-N-[(1S)-3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]oxane-4-carboxamide
CID 91637801
N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 91834430
1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111952356
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 92612308
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide
CID 100723506
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 46979727
N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100773165
[1-(4-methoxyphenyl)cyclopropyl]-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078829

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide (CID 92613867) is 4-(4-methoxyphenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide is COc1ccc(C2(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide?
The InChIKey is WQZXYWUHKHTDNB-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-15(14-20-16(2)24-25(4)17(20)3)23-21(26)22(10-12-28-13-11-22)18-6-8-19(27-5)9-7-18/h6-9,15H,10-14H2,1-5H3,(H,23,26)/t15-/m0/s1.
What are the key properties of 4-(4-methoxyphenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide?
4-(4-methoxyphenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 92613867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).