N-cyclopropyl-5-[(2,6-dimethylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

C23H28N4O3 — CID 24791515

IUPACN-cyclopropyl-5-[(2,6-dimethylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C)c1OCc1cc(C(=O)N(Cc2c(C)nn(C)c2C)C2CC2)no1
InChIInChI=1S/C23H28N4O3/c1-14-7-6-8-15(2)22(14)29-13-19-11-21(25-30-19)23(28)27(18-9-10-18)12-20-16(3)24-26(5)17(20)4/h6-8,11,18H,9-10,12-13H2,1-5H3
InChIKeyOSFRPIDWWIGDCN-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.03
Rot. Bonds7

About N-cyclopropyl-5-[(2,6-dimethylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

N-cyclopropyl-5-[(2,6-dimethylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24791515) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2,6-dimethylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2,6-dimethylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID24791515
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-cyclopropyl-5-[(2,6-dimethylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C)c1OCc1cc(C(=O)N(Cc2c(C)nn(C)c2C)C2CC2)no1
InChIInChI=1S/C23H28N4O3/c1-14-7-6-8-15(2)22(14)29-13-19-11-21(25-30-19)23(28)27(18-9-10-18)12-20-16(3)24-26(5)17(20)4/h6-8,11,18H,9-10,12-13H2,1-5H3
InChIKeyOSFRPIDWWIGDCN-UHFFFAOYSA-N
XLogP4.03
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2,6-dimethylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(2,6-dimethylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (CID 24791515) is N-cyclopropyl-5-[(2,6-dimethylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(2,6-dimethylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(2,6-dimethylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1cccc(C)c1OCc1cc(C(=O)N(Cc2c(C)nn(C)c2C)C2CC2)no1.
What is the InChIKey of N-cyclopropyl-5-[(2,6-dimethylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OSFRPIDWWIGDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-14-7-6-8-15(2)22(14)29-13-19-11-21(25-30-19)23(28)27(18-9-10-18)12-20-16(3)24-26(5)17(20)4/h6-8,11,18H,9-10,12-13H2,1-5H3.
What are the key properties of N-cyclopropyl-5-[(2,6-dimethylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
N-cyclopropyl-5-[(2,6-dimethylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2,6-dimethylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).