N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide

C19H23F3N4O3 — CID 52915199

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide
SMILESCC(C(=O)NCC(=O)NC(C)(C)C)c1ccc(Nc2nc(C(F)(F)F)co2)cc1
InChIInChI=1S/C19H23F3N4O3/c1-11(16(28)23-9-15(27)26-18(2,3)4)12-5-7-13(8-6-12)24-17-25-14(10-29-17)19(20,21)22/h5-8,10-11H,9H2,1-4H3,(H,23,28)(H,24,25)(H,26,27)
InChIKeyACJVUVGTRJJDBC-UHFFFAOYSA-N
MW412.41 g/mol
LogP3.57
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide (PubChem CID 52915199) has the molecular formula C19H23F3N4O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide
PubChem CID52915199
Molecular FormulaC19H23F3N4O3
Molecular Weight412.41 g/mol
Exact Mass412.17
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide
SMILESCC(C(=O)NCC(=O)NC(C)(C)C)c1ccc(Nc2nc(C(F)(F)F)co2)cc1
InChIInChI=1S/C19H23F3N4O3/c1-11(16(28)23-9-15(27)26-18(2,3)4)12-5-7-13(8-6-12)24-17-25-14(10-29-17)19(20,21)22/h5-8,10-11H,9H2,1-4H3,(H,23,28)(H,24,25)(H,26,27)
InChIKeyACJVUVGTRJJDBC-UHFFFAOYSA-N
XLogP3.57
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide (CID 52915199) is N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide is CC(C(=O)NCC(=O)NC(C)(C)C)c1ccc(Nc2nc(C(F)(F)F)co2)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide?
The InChIKey is ACJVUVGTRJJDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3/c1-11(16(28)23-9-15(27)26-18(2,3)4)12-5-7-13(8-6-12)24-17-25-14(10-29-17)19(20,21)22/h5-8,10-11H,9H2,1-4H3,(H,23,28)(H,24,25)(H,26,27).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide has a molecular weight of 412.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide is sourced from PubChem (CID 52915199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).