[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

C17H20N2O4 — CID 24790673

IUPAC[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(OCc2cc(C(=O)N3CCOCC3)no2)c1
InChIInChI=1S/C17H20N2O4/c1-12-3-4-13(2)16(9-12)22-11-14-10-15(18-23-14)17(20)19-5-7-21-8-6-19/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyQVHIVYUVGXEVPN-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.34
Rot. Bonds4

About [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 24790673) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
PubChem CID24790673
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(OCc2cc(C(=O)N3CCOCC3)no2)c1
InChIInChI=1S/C17H20N2O4/c1-12-3-4-13(2)16(9-12)22-11-14-10-15(18-23-14)17(20)19-5-7-21-8-6-19/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyQVHIVYUVGXEVPN-UHFFFAOYSA-N
XLogP2.34
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ML381
CID 42519285
Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
4-{[5-(4-Methoxyphenyl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 17252835
N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-((1-methylpiperidin-4-yl)oxy)benzamide
CID 70679283
5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholino-propyl)isoxazole-3-carboxamide
CID 24818973
5-(3-Methoxyphenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 17252862
4-[5-(2-Methoxyphenyl)-1,2-oxazole-3-carbonyl]morpholine
CID 22427430
[5-(2,5-Dimethoxyphenyl)-3-isoxazolyl]-(4-morpholinyl)methanone
CID 22427462
5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
CID 24791199
1-({5-[(2,6-Dimethylphenoxy)methyl]-3-isoxazolyl}carbonyl)-2-methyl-4-phenylpiperazine
CID 24794246
[4-[(3-Cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 68506266
N-(2-methoxyethyl)-5-(3-methoxyphenyl)-3-isoxazolecarboxamide
CID 3240105

Frequently Asked Questions

What is the IUPAC name of [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (CID 24790673) is [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is Cc1ccc(C)c(OCc2cc(C(=O)N3CCOCC3)no2)c1.
What is the InChIKey of [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is QVHIVYUVGXEVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12-3-4-13(2)16(9-12)22-11-14-10-15(18-23-14)17(20)19-5-7-21-8-6-19/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 316.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24790673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).