3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide

C18H17ClN2O3 — CID 9033009

IUPAC3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1ccccc1
InChIInChI=1S/C18H17ClN2O3/c1-12(13-5-3-2-4-6-13)20-17(22)9-10-21-15-8-7-14(19)11-16(15)24-18(21)23/h2-8,11-12H,9-10H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyBGXXEMLRBJRGEW-GFCCVEGCSA-N
MW344.80 g/mol
LogP3.52
Rot. Bonds5

About 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 9033009) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
PubChem CID9033009
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1ccccc1
InChIInChI=1S/C18H17ClN2O3/c1-12(13-5-3-2-4-6-13)20-17(22)9-10-21-15-8-7-14(19)11-16(15)24-18(21)23/h2-8,11-12H,9-10H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyBGXXEMLRBJRGEW-GFCCVEGCSA-N
XLogP3.52
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 9181609
[(2R)-2-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-2-phenylethyl]-dimethylazanium
CID 8938389
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 9396885
4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenylethyl)butanamide
CID 51210606
(2S)-2-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-ethylpropanamide
CID 9470712
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 17413824
methyl (2S)-2-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-3-hydroxypropanoate
CID 9278128
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42888994
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51323878
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 8986652
1-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-3-(3-methylbutyl)thiourea
CID 9150561

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide (CID 9033009) is 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide is C[C@@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1ccccc1.
What is the InChIKey of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is BGXXEMLRBJRGEW-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-12(13-5-3-2-4-6-13)20-17(22)9-10-21-15-8-7-14(19)11-16(15)24-18(21)23/h2-8,11-12H,9-10H2,1H3,(H,20,22)/t12-/m1/s1.
What are the key properties of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide?
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 344.80 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 9033009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).