methyl N-[2-chloro-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)anilino]carbamate

C18H18ClN3O3 — CID 59355672

IUPACmethyl N-[2-chloro-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)anilino]carbamate
SMILESCOC(=O)NNc1cc(C2=NOC(C)(c3ccccc3)C2)ccc1Cl
InChIInChI=1S/C18H18ClN3O3/c1-18(13-6-4-3-5-7-13)11-16(22-25-18)12-8-9-14(19)15(10-12)20-21-17(23)24-2/h3-10,20H,11H2,1-2H3,(H,21,23)
InChIKeySSMDAADWNHTCNN-UHFFFAOYSA-N
MW359.81 g/mol
LogP4.06
Rot. Bonds4

About methyl N-[2-chloro-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)anilino]carbamate

methyl N-[2-chloro-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)anilino]carbamate (PubChem CID 59355672) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is methyl N-[2-chloro-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)anilino]carbamate.

Molecular Properties

Compound Namemethyl N-[2-chloro-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)anilino]carbamate
PubChem CID59355672
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Namemethyl N-[2-chloro-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)anilino]carbamate
SMILESCOC(=O)NNc1cc(C2=NOC(C)(c3ccccc3)C2)ccc1Cl
InChIInChI=1S/C18H18ClN3O3/c1-18(13-6-4-3-5-7-13)11-16(22-25-18)12-8-9-14(19)15(10-12)20-21-17(23)24-2/h3-10,20H,11H2,1-2H3,(H,21,23)
InChIKeySSMDAADWNHTCNN-UHFFFAOYSA-N
XLogP4.06
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl N-[2-chloro-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)anilino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole
CID 58473804
(E)-N'-[2-chloro-5-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylprop-2-enehydrazide
CID 162562926
methyl 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 58338620
4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde
CID 58473783
2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide
CID 123691533
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;methane;methyl 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 158222560
1-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]anilino]-3-(4-methoxyphenyl)urea
CID 56655675
5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-3-nitrobenzene-1,2-diol
CID 142496951
ethane;4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile
CID 123829563
N'-[2-chloro-5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4,4,4-trifluorobutanehydrazide
CID 86582954
3-(2-cyanophenyl)-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-propan-2-ylbenzamide
CID 88989749
ethyl 3-[[2-fluoro-5-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]phenyl]methylamino]-3-oxopropanoate
CID 58468246

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-chloro-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)anilino]carbamate?
The IUPAC name of methyl N-[2-chloro-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)anilino]carbamate (CID 59355672) is methyl N-[2-chloro-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)anilino]carbamate.
What is the SMILES notation for methyl N-[2-chloro-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)anilino]carbamate?
The canonical SMILES for methyl N-[2-chloro-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)anilino]carbamate is COC(=O)NNc1cc(C2=NOC(C)(c3ccccc3)C2)ccc1Cl.
What is the InChIKey of methyl N-[2-chloro-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)anilino]carbamate?
The InChIKey is SSMDAADWNHTCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-18(13-6-4-3-5-7-13)11-16(22-25-18)12-8-9-14(19)15(10-12)20-21-17(23)24-2/h3-10,20H,11H2,1-2H3,(H,21,23).
What are the key properties of methyl N-[2-chloro-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)anilino]carbamate?
methyl N-[2-chloro-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)anilino]carbamate has a molecular weight of 359.81 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-chloro-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)anilino]carbamate is sourced from PubChem (CID 59355672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).