N-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide

C20H23F3N4O4 — CID 3287314

IUPACN-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CN(CCCN1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1)Nc1ccon1
InChIInChI=1S/C20H23F3N4O4/c21-20(22,23)16-4-2-15(3-5-16)19(29)27(8-1-7-26-9-12-30-13-10-26)14-18(28)24-17-6-11-31-25-17/h2-6,11H,1,7-10,12-14H2,(H,24,25,28)
InChIKeyBWFHWPFUYRJUKI-UHFFFAOYSA-N
MW440.42 g/mol
LogP2.50
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide

N-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 3287314) has the molecular formula C20H23F3N4O4 and a molecular weight of 440.42 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID3287314
Molecular FormulaC20H23F3N4O4
Molecular Weight440.42 g/mol
Exact Mass440.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CN(CCCN1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1)Nc1ccon1
InChIInChI=1S/C20H23F3N4O4/c21-20(22,23)16-4-2-15(3-5-16)19(29)27(8-1-7-26-9-12-30-13-10-26)14-18(28)24-17-6-11-31-25-17/h2-6,11H,1,7-10,12-14H2,(H,24,25,28)
InChIKeyBWFHWPFUYRJUKI-UHFFFAOYSA-N
XLogP2.50
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 814489
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide
CID 4505979
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide
CID 42769078
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
CID 4083024
N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 3569448
3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3462860
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 4133885
4-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42770301
4-butyl-N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3705087
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
CID 23094990
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)benzamide
CID 78799295
3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 4614213

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 3287314) is N-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide is O=C(CN(CCCN1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1)Nc1ccon1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is BWFHWPFUYRJUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O4/c21-20(22,23)16-4-2-15(3-5-16)19(29)27(8-1-7-26-9-12-30-13-10-26)14-18(28)24-17-6-11-31-25-17/h2-6,11H,1,7-10,12-14H2,(H,24,25,28).
What are the key properties of N-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 440.42 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 3287314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).