2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide

C17H21N3O4 — CID 39043000

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide
SMILESCCNC(=O)COc1cccc(NC(=O)Cc2c(C)noc2C)c1
InChIInChI=1S/C17H21N3O4/c1-4-18-17(22)10-23-14-7-5-6-13(8-14)19-16(21)9-15-11(2)20-24-12(15)3/h5-8H,4,9-10H2,1-3H3,(H,18,22)(H,19,21)
InChIKeySPBQYWOQNHCPHU-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.99
Rot. Bonds7

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide (PubChem CID 39043000) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide
PubChem CID39043000
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide
SMILESCCNC(=O)COc1cccc(NC(=O)Cc2c(C)noc2C)c1
InChIInChI=1S/C17H21N3O4/c1-4-18-17(22)10-23-14-7-5-6-13(8-14)19-16(21)9-15-11(2)20-24-12(15)3/h5-8H,4,9-10H2,1-3H3,(H,18,22)(H,19,21)
InChIKeySPBQYWOQNHCPHU-UHFFFAOYSA-N
XLogP1.99
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-phenoxyphenyl)acetamide
CID 78794827
N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 17425777
N-ethyl-2-[3-(methylamino)phenoxy]acetamide
CID 143296990
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(4-propanoylphenoxy)acetamide
CID 34875030
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 8832165
4-tert-butyl-N-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]benzamide
CID 39042630
2-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenoxy]-N-ethylacetamide
CID 34870464
N-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide
CID 50958554
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 27843163
ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate
CID 17488167
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 47044065

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide (CID 39043000) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide is CCNC(=O)COc1cccc(NC(=O)Cc2c(C)noc2C)c1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide?
The InChIKey is SPBQYWOQNHCPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-18-17(22)10-23-14-7-5-6-13(8-14)19-16(21)9-15-11(2)20-24-12(15)3/h5-8H,4,9-10H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide has a molecular weight of 331.37 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 39043000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).