4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide

C22H33N5O3 — CID 46968699

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(Cc2c(C(=O)N(CC3CCCO3)C3CCN(C)CC3)noc2C)n1
InChIInChI=1S/C22H33N5O3/c1-15-12-16(2)27(23-15)14-20-17(3)30-24-21(20)22(28)26(13-19-6-5-11-29-19)18-7-9-25(4)10-8-18/h12,18-19H,5-11,13-14H2,1-4H3
InChIKeyYNSUYKOIBAGUBA-UHFFFAOYSA-N
MW415.54 g/mol
LogP2.56
Rot. Bonds6

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 46968699) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID46968699
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(Cc2c(C(=O)N(CC3CCCO3)C3CCN(C)CC3)noc2C)n1
InChIInChI=1S/C22H33N5O3/c1-15-12-16(2)27(23-15)14-20-17(3)30-24-21(20)22(28)26(13-19-6-5-11-29-19)18-7-9-25(4)10-8-18/h12,18-19H,5-11,13-14H2,1-4H3
InChIKeyYNSUYKOIBAGUBA-UHFFFAOYSA-N
XLogP2.56
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 20949016
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 20949001
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 19465995
1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea
CID 40641442
7-tert-butyl-N-(1-methylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 51584022
7-tert-butyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 46968805
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 91775564
(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 97435362
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 95595180
2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51586358
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 97456837
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 51937465

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 46968699) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide is Cc1cc(C)n(Cc2c(C(=O)N(CC3CCCO3)C3CCN(C)CC3)noc2C)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is YNSUYKOIBAGUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-15-12-16(2)27(23-15)14-20-17(3)30-24-21(20)22(28)26(13-19-6-5-11-29-19)18-7-9-25(4)10-8-18/h12,18-19H,5-11,13-14H2,1-4H3.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46968699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).