4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide

C18H27N5O2 — CID 20949016

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(Cc2c(C(=O)NCCCN3CCCC3)noc2C)n1
InChIInChI=1S/C18H27N5O2/c1-13-11-14(2)23(20-13)12-16-15(3)25-21-17(16)18(24)19-7-6-10-22-8-4-5-9-22/h11H,4-10,12H2,1-3H3,(H,19,24)
InChIKeyMDMUQUVKSBNZJL-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.06
Rot. Bonds7

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 20949016) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID20949016
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(Cc2c(C(=O)NCCCN3CCCC3)noc2C)n1
InChIInChI=1S/C18H27N5O2/c1-13-11-14(2)23(20-13)12-16-15(3)25-21-17(16)18(24)19-7-6-10-22-8-4-5-9-22/h11H,4-10,12H2,1-3H3,(H,19,24)
InChIKeyMDMUQUVKSBNZJL-UHFFFAOYSA-N
XLogP2.06
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 20949001
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 100585329
N-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 20949031
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111279158
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
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide
CID 115575262
3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119394236
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 20949011
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-piperidin-1-ylpropyl)benzamide
CID 31093025
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111279931
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262015

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide (CID 20949016) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide is Cc1cc(C)n(Cc2c(C(=O)NCCCN3CCCC3)noc2C)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MDMUQUVKSBNZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13-11-14(2)23(20-13)12-16-15(3)25-21-17(16)18(24)19-7-6-10-22-8-4-5-9-22/h11H,4-10,12H2,1-3H3,(H,19,24).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20949016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).