N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide

C19H21F3N4O3 — CID 4505979

IUPACN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(CN(CCN1CCCC1)C(=O)c1cccc(C(F)(F)F)c1)Nc1ccon1
InChIInChI=1S/C19H21F3N4O3/c20-19(21,22)15-5-3-4-14(12-15)18(28)26(10-9-25-7-1-2-8-25)13-17(27)23-16-6-11-29-24-16/h3-6,11-12H,1-2,7-10,13H2,(H,23,24,27)
InChIKeyBBWACSJYYIUGHP-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.87
Rot. Bonds7

About N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide (PubChem CID 4505979) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide
PubChem CID4505979
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(CN(CCN1CCCC1)C(=O)c1cccc(C(F)(F)F)c1)Nc1ccon1
InChIInChI=1S/C19H21F3N4O3/c20-19(21,22)15-5-3-4-14(12-15)18(28)26(10-9-25-7-1-2-8-25)13-17(27)23-16-6-11-29-24-16/h3-6,11-12H,1-2,7-10,13H2,(H,23,24,27)
InChIKeyBBWACSJYYIUGHP-UHFFFAOYSA-N
XLogP2.87
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 42771686
N-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 3287314
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 42769131
2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 814540
3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide
CID 813670
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)nonanamide
CID 4582164
N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 3569448
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide
CID 42769078
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 7327164
2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
CID 4138130
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087470

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide (CID 4505979) is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide is O=C(CN(CCN1CCCC1)C(=O)c1cccc(C(F)(F)F)c1)Nc1ccon1.
What is the InChIKey of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is BBWACSJYYIUGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c20-19(21,22)15-5-3-4-14(12-15)18(28)26(10-9-25-7-1-2-8-25)13-17(27)23-16-6-11-29-24-16/h3-6,11-12H,1-2,7-10,13H2,(H,23,24,27).
What are the key properties of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide?
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 410.40 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 4505979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).