N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide

C21H24ClN3O2 — CID 53234386

IUPACN-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(CC[C@H]2COC(N)=N2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O2/c1-21(2,15-6-8-16(22)9-7-15)19(26)24-17-10-3-14(4-11-17)5-12-18-13-27-20(23)25-18/h3-4,6-11,18H,5,12-13H2,1-2H3,(H2,23,25)(H,24,26)/t18-/m0/s1
InChIKeyYKOWDEWCYAPSIT-SFHVURJKSA-N
MW385.90 g/mol
LogP3.90
Rot. Bonds6

About N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide

N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide (PubChem CID 53234386) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide
PubChem CID53234386
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(CC[C@H]2COC(N)=N2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O2/c1-21(2,15-6-8-16(22)9-7-15)19(26)24-17-10-3-14(4-11-17)5-12-18-13-27-20(23)25-18/h3-4,6-11,18H,5,12-13H2,1-2H3,(H2,23,25)(H,24,26)/t18-/m0/s1
InChIKeyYKOWDEWCYAPSIT-SFHVURJKSA-N
XLogP3.90
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide
CID 76747754
1-[4-[4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)butyl]phenyl]-3-(4-chlorophenyl)urea
CID 77233028
1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea
CID 67156315
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-6-chloro-3-fluoropyridine-2-carboxamide
CID 76747740
1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea
CID 53235413
1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(3-chlorophenyl)urea;1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea
CID 158052745
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 53234710
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(6-bromo-2-pyridinyl)-2,2-difluoroacetamide
CID 58256359
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 58256317
4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67501873
(4S)-4-[3-(4-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173201
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-(dimethylamino)pyrazine-2-carboxamide
CID 58256429

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide?
The IUPAC name of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide (CID 53234386) is N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(CC[C@H]2COC(N)=N2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide?
The InChIKey is YKOWDEWCYAPSIT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-21(2,15-6-8-16(22)9-7-15)19(26)24-17-10-3-14(4-11-17)5-12-18-13-27-20(23)25-18/h3-4,6-11,18H,5,12-13H2,1-2H3,(H2,23,25)(H,24,26)/t18-/m0/s1.
What are the key properties of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide?
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide has a molecular weight of 385.90 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 53234386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).