N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide

C18H17IN2O2 — CID 23964998

IUPACN-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc2oc(-c3cccc(I)c3)nc2c1
InChIInChI=1S/C18H17IN2O2/c1-2-3-7-17(22)20-14-8-9-16-15(11-14)21-18(23-16)12-5-4-6-13(19)10-12/h4-6,8-11H,2-3,7H2,1H3,(H,20,22)
InChIKeyOXXQJAREWCURKC-UHFFFAOYSA-N
MW420.25 g/mol
LogP5.23
Rot. Bonds5

About N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide

N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide (PubChem CID 23964998) has the molecular formula C18H17IN2O2 and a molecular weight of 420.25 g/mol. Its IUPAC name is N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide.

Molecular Properties

Compound NameN-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide
PubChem CID23964998
Molecular FormulaC18H17IN2O2
Molecular Weight420.25 g/mol
Exact Mass420.03
IUPAC NameN-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc2oc(-c3cccc(I)c3)nc2c1
InChIInChI=1S/C18H17IN2O2/c1-2-3-7-17(22)20-14-8-9-16-15(11-14)21-18(23-16)12-5-4-6-13(19)10-12/h4-6,8-11H,2-3,7H2,1H3,(H,20,22)
InChIKeyOXXQJAREWCURKC-UHFFFAOYSA-N
XLogP5.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.25
LogP ≤ 55.23
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-cyano-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 168521686
N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide
CID 21229547
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]hexanamide
CID 40600443
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide
CID 23908646
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide
CID 3095595
2-(4-butan-2-ylphenoxy)-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 21167958
N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propoxybenzamide
CID 43913326
N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide
CID 142744266
N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide
CID 5173006
N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
CID 17163174
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide
CID 23883624
N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]pentanamide
CID 40598288

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide?
The IUPAC name of N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide (CID 23964998) is N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide.
What is the SMILES notation for N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide?
The canonical SMILES for N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide is CCCCC(=O)Nc1ccc2oc(-c3cccc(I)c3)nc2c1.
What is the InChIKey of N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide?
The InChIKey is OXXQJAREWCURKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN2O2/c1-2-3-7-17(22)20-14-8-9-16-15(11-14)21-18(23-16)12-5-4-6-13(19)10-12/h4-6,8-11H,2-3,7H2,1H3,(H,20,22).
What are the key properties of N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide?
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide has a molecular weight of 420.25 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide is sourced from PubChem (CID 23964998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).