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

C15H17IN2O2 — CID 47113050

IUPACN-(4-iodo-2-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1cc(I)ccc1NC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C15H17IN2O2/c1-8(2)14-13(10(4)18-20-14)15(19)17-12-6-5-11(16)7-9(12)3/h5-8H,1-4H3,(H,17,19)
InChIKeyHAZBOVRKKXDTSY-UHFFFAOYSA-N
MW384.22 g/mol
LogP4.27
Rot. Bonds3

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

N-(4-iodo-2-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 47113050) has the molecular formula C15H17IN2O2 and a molecular weight of 384.22 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID47113050
Molecular FormulaC15H17IN2O2
Molecular Weight384.22 g/mol
Exact Mass384.03
IUPAC NameN-(4-iodo-2-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1cc(I)ccc1NC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C15H17IN2O2/c1-8(2)14-13(10(4)18-20-14)15(19)17-12-6-5-11(16)7-9(12)3/h5-8H,1-4H3,(H,17,19)
InChIKeyHAZBOVRKKXDTSY-UHFFFAOYSA-N
XLogP4.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 54.27
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-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 18164312
N-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110675294
3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110606688
N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9068444
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3920863
3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 110622826
3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
CID 26700940
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700942
3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700945
N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 723686
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9270594

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 47113050) is N-(4-iodo-2-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1cc(I)ccc1NC(=O)c1c(C)noc1C(C)C.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is HAZBOVRKKXDTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O2/c1-8(2)14-13(10(4)18-20-14)15(19)17-12-6-5-11(16)7-9(12)3/h5-8H,1-4H3,(H,17,19).
What are the key properties of N-(4-iodo-2-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-(4-iodo-2-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 384.22 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 47113050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).