N-chloro-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide

C20H19ClN2O2 — CID 174475581

IUPACN-chloro-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
SMILESCC(=O)N(Cl)c1cccc(-c2cc(-c3ccccc3C(C)C)no2)c1
InChIInChI=1S/C20H19ClN2O2/c1-13(2)17-9-4-5-10-18(17)19-12-20(25-22-19)15-7-6-8-16(11-15)23(21)14(3)24/h4-13H,1-3H3
InChIKeyMQRKVISIQZUMQQ-UHFFFAOYSA-N
MW354.84 g/mol
LogP5.64
Rot. Bonds4

About N-chloro-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide

N-chloro-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide (PubChem CID 174475581) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-chloro-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-chloro-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
PubChem CID174475581
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-chloro-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
SMILESCC(=O)N(Cl)c1cccc(-c2cc(-c3ccccc3C(C)C)no2)c1
InChIInChI=1S/C20H19ClN2O2/c1-13(2)17-9-4-5-10-18(17)19-12-20(25-22-19)15-7-6-8-16(11-15)23(21)14(3)24/h4-13H,1-3H3
InChIKeyMQRKVISIQZUMQQ-UHFFFAOYSA-N
XLogP5.64
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-chloro-N-[3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
CID 174462724
(E)-but-2-enedioic acid;1-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]but-3-en-1-amine
CID 159992821
N-(2-methyl-6-propan-2-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261863
2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
CID 3007241
ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 145281683
(1S)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanol;1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanone
CID 158318961
1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea
CID 117336131
(2R)-2-amino-N-[2-[N-(2,2-dichloroacetyl)-3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]anilino]ethyl]-2-phenylacetamide
CID 69057071
5-(2-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 117290994
1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone
CID 44546286
2-(5-phenyl-1,2-oxazol-3-yl)benzaldehyde
CID 18357596
N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95383413

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide?
The IUPAC name of N-chloro-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide (CID 174475581) is N-chloro-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-chloro-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-chloro-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide is CC(=O)N(Cl)c1cccc(-c2cc(-c3ccccc3C(C)C)no2)c1.
What is the InChIKey of N-chloro-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide?
The InChIKey is MQRKVISIQZUMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-13(2)17-9-4-5-10-18(17)19-12-20(25-22-19)15-7-6-8-16(11-15)23(21)14(3)24/h4-13H,1-3H3.
What are the key properties of N-chloro-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide?
N-chloro-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide has a molecular weight of 354.84 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 174475581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).