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

C19H23N5O3 — CID 95189961

IUPAC5-[(2,5-dimethylphenoxy)methyl]-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCCn1ncnc1[C@@H](C)NC(=O)c1cc(COc2cc(C)ccc2C)on1
InChIInChI=1S/C19H23N5O3/c1-5-24-18(20-11-21-24)14(4)22-19(25)16-9-15(27-23-16)10-26-17-8-12(2)6-7-13(17)3/h6-9,11,14H,5,10H2,1-4H3,(H,22,25)/t14-/m1/s1
InChIKeyOBMLCHFHIXKAAI-CQSZACIVSA-N
MW369.43 g/mol
LogP2.97
Rot. Bonds7

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

5-[(2,5-dimethylphenoxy)methyl]-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 95189961) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenoxy)methyl]-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dimethylphenoxy)methyl]-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID95189961
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name5-[(2,5-dimethylphenoxy)methyl]-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCCn1ncnc1[C@@H](C)NC(=O)c1cc(COc2cc(C)ccc2C)on1
InChIInChI=1S/C19H23N5O3/c1-5-24-18(20-11-21-24)14(4)22-19(25)16-9-15(27-23-16)10-26-17-8-12(2)6-7-13(17)3/h6-9,11,14H,5,10H2,1-4H3,(H,22,25)/t14-/m1/s1
InChIKeyOBMLCHFHIXKAAI-CQSZACIVSA-N
XLogP2.97
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2,5-dimethylphenoxy)methyl]-N-(2-methylsulfanylethyl)-1,2-oxazole-3-carboxamide
CID 126460362
5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19462556
N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452717
3-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide
CID 19467140
5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 26315290
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide
CID 138383795
3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methyl-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 125442424
methyl (2S,3S)-2-[[5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]-3-methylpentanoate
CID 42356603
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
CID 91770168
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 70759937
4-[[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 125437669
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444865

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 95189961) is 5-[(2,5-dimethylphenoxy)methyl]-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,5-dimethylphenoxy)methyl]-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,5-dimethylphenoxy)methyl]-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide is CCn1ncnc1[C@@H](C)NC(=O)c1cc(COc2cc(C)ccc2C)on1.
What is the InChIKey of 5-[(2,5-dimethylphenoxy)methyl]-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OBMLCHFHIXKAAI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-5-24-18(20-11-21-24)14(4)22-19(25)16-9-15(27-23-16)10-26-17-8-12(2)6-7-13(17)3/h6-9,11,14H,5,10H2,1-4H3,(H,22,25)/t14-/m1/s1.
What are the key properties of 5-[(2,5-dimethylphenoxy)methyl]-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(2,5-dimethylphenoxy)methyl]-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenoxy)methyl]-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95189961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).