N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C11H9IN2O2 — CID 850525

IUPACN-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C11H9IN2O2/c1-7-10(6-13-16-7)11(15)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,14,15)
InChIKeyLTOIKBCWFOMQRB-UHFFFAOYSA-N
MW328.11 g/mol
LogP2.84
Rot. Bonds2

About N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 850525) has the molecular formula C11H9IN2O2 and a molecular weight of 328.11 g/mol. Its IUPAC name is N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID850525
Molecular FormulaC11H9IN2O2
Molecular Weight328.11 g/mol
Exact Mass327.97
IUPAC NameN-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C11H9IN2O2/c1-7-10(6-13-16-7)11(15)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,14,15)
InChIKeyLTOIKBCWFOMQRB-UHFFFAOYSA-N
XLogP2.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 52.84
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

N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 15871088
5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 19871639
ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
CID 91575161
3-iodo-5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 112750032
N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 119300729
N-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60579060
N-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 52689701
N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64788102
3-ethyl-5-methyl-N-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 51125656
5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 850304

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 850525) is N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is LTOIKBCWFOMQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O2/c1-7-10(6-13-16-7)11(15)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,14,15).
What are the key properties of N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 328.11 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 850525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).