N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C18H15IN2O2 — CID 2649068

IUPACN-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1I
InChIInChI=1S/C18H15IN2O2/c1-11-8-9-14(10-15(11)19)20-18(22)16-12(2)23-21-17(16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)
InChIKeyMKMSGFPWYJZXLY-UHFFFAOYSA-N
MW418.23 g/mol
LogP4.82
Rot. Bonds3

About N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 2649068) has the molecular formula C18H15IN2O2 and a molecular weight of 418.23 g/mol. Its IUPAC name is N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID2649068
Molecular FormulaC18H15IN2O2
Molecular Weight418.23 g/mol
Exact Mass418.02
IUPAC NameN-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1I
InChIInChI=1S/C18H15IN2O2/c1-11-8-9-14(10-15(11)19)20-18(22)16-12(2)23-21-17(16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)
InChIKeyMKMSGFPWYJZXLY-UHFFFAOYSA-N
XLogP4.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.23
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-(3-methyl-4-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 155518641
N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2366225
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609
N-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32850824
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 5030956
5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 35365084
5-methyl-N-(1,2-oxazol-3-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1244977
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221
methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 36930577
3-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805699
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26070791
5-methyl-3-phenyl-N-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2198505

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 2649068) is N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1I.
What is the InChIKey of N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is MKMSGFPWYJZXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN2O2/c1-11-8-9-14(10-15(11)19)20-18(22)16-12(2)23-21-17(16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 418.23 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2649068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).