4-[(2,3-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide

C23H30N4O3 — CID 19490490

IUPAC4-[(2,3-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)c2noc(C)c2COc2cccc(C)c2C)c1C
InChIInChI=1S/C23H30N4O3/c1-8-27-17(5)19(16(4)24-27)12-26(7)23(28)22-20(18(6)30-25-22)13-29-21-11-9-10-14(2)15(21)3/h9-11H,8,12-13H2,1-7H3
InChIKeyNFXRJNSFTCPADI-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.28
Rot. Bonds7

About 4-[(2,3-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide

4-[(2,3-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 19490490) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-[(2,3-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2,3-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID19490490
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name4-[(2,3-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)c2noc(C)c2COc2cccc(C)c2C)c1C
InChIInChI=1S/C23H30N4O3/c1-8-27-17(5)19(16(4)24-27)12-26(7)23(28)22-20(18(6)30-25-22)13-29-21-11-9-10-14(2)15(21)3/h9-11H,8,12-13H2,1-7H3
InChIKeyNFXRJNSFTCPADI-UHFFFAOYSA-N
XLogP4.28
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490593
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxy-N-methylbenzamide
CID 19454037
N,5-dimethyl-4-[(3-methylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19488211
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(2-fluorophenoxy)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19490317
4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19490600
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(2-methoxyphenoxy)methyl]-N-methylbenzamide
CID 19453949
3-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 19454029
4-[(2,3-dimethylphenoxy)methyl]-N-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19490652
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19488120
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19453921
4-[(3,5-dimethylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19444409
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19443092

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2,3-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 19490490) is 4-[(2,3-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2,3-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2,3-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is CCn1nc(C)c(CN(C)C(=O)c2noc(C)c2COc2cccc(C)c2C)c1C.
What is the InChIKey of 4-[(2,3-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is NFXRJNSFTCPADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-8-27-17(5)19(16(4)24-27)12-26(7)23(28)22-20(18(6)30-25-22)13-29-21-11-9-10-14(2)15(21)3/h9-11H,8,12-13H2,1-7H3.
What are the key properties of 4-[(2,3-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
4-[(2,3-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19490490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).