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

C19H20ClN3O4 — CID 45208387

IUPAC5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(OCc2cc(C(=O)N(C)C(C)c3ccon3)no2)cc(C)c1Cl
InChIInChI=1S/C19H20ClN3O4/c1-11-7-14(8-12(2)18(11)20)25-10-15-9-17(22-27-15)19(24)23(4)13(3)16-5-6-26-21-16/h5-9,13H,10H2,1-4H3
InChIKeyUKEPNXVVVRKGDU-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.35
Rot. Bonds6

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

5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 45208387) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID45208387
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(OCc2cc(C(=O)N(C)C(C)c3ccon3)no2)cc(C)c1Cl
InChIInChI=1S/C19H20ClN3O4/c1-11-7-14(8-12(2)18(11)20)25-10-15-9-17(22-27-15)19(24)23(4)13(3)16-5-6-26-21-16/h5-9,13H,10H2,1-4H3
InChIKeyUKEPNXVVVRKGDU-UHFFFAOYSA-N
XLogP4.35
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45241731
5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 71737702
5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56715383
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(2-methylsulfanylethyl)-1,2-oxazole-3-carboxamide
CID 25381337
3-(2-aminoethoxy)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 118793692
3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 126452166
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42192548
N-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 28685109
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 25379111
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide
CID 24817014
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 24791488
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 45205519

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 45208387) is 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(OCc2cc(C(=O)N(C)C(C)c3ccon3)no2)cc(C)c1Cl.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is UKEPNXVVVRKGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-11-7-14(8-12(2)18(11)20)25-10-15-9-17(22-27-15)19(24)23(4)13(3)16-5-6-26-21-16/h5-9,13H,10H2,1-4H3.
What are the key properties of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45208387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).