2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide

C13H14IN3O3 — CID 3862698

IUPAC2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
SMILESCC(O)C(N)c1nc(C(=O)Nc2ccc(I)cc2)co1
InChIInChI=1S/C13H14IN3O3/c1-7(18)11(15)13-17-10(6-20-13)12(19)16-9-4-2-8(14)3-5-9/h2-7,11,18H,15H2,1H3,(H,16,19)
InChIKeyMQPWEHOCXFJTGV-UHFFFAOYSA-N
MW387.18 g/mol
LogP1.91
Rot. Bonds4

About 2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide

2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3862698) has the molecular formula C13H14IN3O3 and a molecular weight of 387.18 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
PubChem CID3862698
Molecular FormulaC13H14IN3O3
Molecular Weight387.18 g/mol
Exact Mass387.01
IUPAC Name2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
SMILESCC(O)C(N)c1nc(C(=O)Nc2ccc(I)cc2)co1
InChIInChI=1S/C13H14IN3O3/c1-7(18)11(15)13-17-10(6-20-13)12(19)16-9-4-2-8(14)3-5-9/h2-7,11,18H,15H2,1H3,(H,16,19)
InChIKeyMQPWEHOCXFJTGV-UHFFFAOYSA-N
XLogP1.91
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.18
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminoethyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
CID 5182510
N-[4-(4-aminobenzoyl)phenyl]-2-(1-amino-2-hydroxypropyl)-1,3-oxazole-4-carboxamide
CID 3864832
2-(1-amino-2-methylpropyl)-N-(4-bromophenyl)-1,3-oxazole-4-carboxamide
CID 3827756
2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 3847870
2-(1-amino-2-methylbutyl)-N-[4-[2-(4-aminophenyl)ethyl]phenyl]-1,3-oxazole-4-carboxamide
CID 3866544
2-(1-amino-2-hydroxypropyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3308744
2-(1-amino-3-methylbutyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3435152
2-(1-amino-2-hydroxypropyl)-N-dodecyl-1,3-oxazole-4-carboxamide
CID 3868123
2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
CID 3780432
2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3868124
2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
CID 5017733
2-(1-amino-2-hydroxypropyl)-N-[(2-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5018208

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide (CID 3862698) is 2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide is CC(O)C(N)c1nc(C(=O)Nc2ccc(I)cc2)co1.
What is the InChIKey of 2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is MQPWEHOCXFJTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O3/c1-7(18)11(15)13-17-10(6-20-13)12(19)16-9-4-2-8(14)3-5-9/h2-7,11,18H,15H2,1H3,(H,16,19).
What are the key properties of 2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide?
2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 387.18 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3862698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).