2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide

C18H17ClN2O3 — CID 8986652

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C18H17ClN2O3/c1-12(13-6-4-3-5-7-13)20(2)17(22)11-21-15-9-8-14(19)10-16(15)24-18(21)23/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyOQVMAMAKKWVTSE-LBPRGKRZSA-N
MW344.80 g/mol
LogP3.47
Rot. Bonds4

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 8986652) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide
PubChem CID8986652
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C18H17ClN2O3/c1-12(13-6-4-3-5-7-13)20(2)17(22)11-21-15-9-8-14(19)10-16(15)24-18(21)23/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyOQVMAMAKKWVTSE-LBPRGKRZSA-N
XLogP3.47
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 69033756
N-methyl-2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenylethyl)acetamide
CID 43055048
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-(3-methylphenyl)acetamide
CID 4199634
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 32906627
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 9033009
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8986893
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 95306501
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide
CID 4199629
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1R)-1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 57488834
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 9379074
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide (CID 8986652) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide is C[C@@H](c1ccccc1)N(C)C(=O)Cn1c(=O)oc2cc(Cl)ccc21.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is OQVMAMAKKWVTSE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-12(13-6-4-3-5-7-13)20(2)17(22)11-21-15-9-8-14(19)10-16(15)24-18(21)23/h3-10,12H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 344.80 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 8986652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).