N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine

C15H13IN2O — CID 91682505

IUPACN-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine
SMILESCCNc1ccc2oc(-c3ccc(I)cc3)nc2c1
InChIInChI=1S/C15H13IN2O/c1-2-17-12-7-8-14-13(9-12)18-15(19-14)10-3-5-11(16)6-4-10/h3-9,17H,2H2,1H3
InChIKeyURQNMRRCOVMFDC-UHFFFAOYSA-N
MW364.19 g/mol
LogP4.53
Rot. Bonds3

About N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine

N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine (PubChem CID 91682505) has the molecular formula C15H13IN2O and a molecular weight of 364.19 g/mol. Its IUPAC name is N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine
PubChem CID91682505
Molecular FormulaC15H13IN2O
Molecular Weight364.19 g/mol
Exact Mass364.01
IUPAC NameN-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine
SMILESCCNc1ccc2oc(-c3ccc(I)cc3)nc2c1
InChIInChI=1S/C15H13IN2O/c1-2-17-12-7-8-14-13(9-12)18-15(19-14)10-3-5-11(16)6-4-10/h3-9,17H,2H2,1H3
InChIKeyURQNMRRCOVMFDC-UHFFFAOYSA-N
XLogP4.53
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 54.53
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

2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91682504
2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 91683535
N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121
2,2,2-trichloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 3515866
3,4,5-triethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23742080
2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine
CID 91677608
N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
CID 91677714
N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
CID 1362301
2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 86768124
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15993120
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine
CID 882263
4-ethyl-N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
CID 17315194

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine?
The IUPAC name of N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine (CID 91682505) is N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine is CCNc1ccc2oc(-c3ccc(I)cc3)nc2c1.
What is the InChIKey of N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine?
The InChIKey is URQNMRRCOVMFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O/c1-2-17-12-7-8-14-13(9-12)18-15(19-14)10-3-5-11(16)6-4-10/h3-9,17H,2H2,1H3.
What are the key properties of N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine?
N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine has a molecular weight of 364.19 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 91682505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).