7-iodo-3-(4-phenoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-amine

C18H12IN3O2 — CID 18450877

IUPAC7-iodo-3-(4-phenoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-amine
SMILESNc1ncc(I)c2onc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C18H12IN3O2/c19-14-10-21-18(20)15-16(22-24-17(14)15)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H2,20,21)
InChIKeyMQLDYBLEYASXDC-UHFFFAOYSA-N
MW429.22 g/mol
LogP4.87
Rot. Bonds3

About 7-iodo-3-(4-phenoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-amine

7-iodo-3-(4-phenoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-amine (PubChem CID 18450877) has the molecular formula C18H12IN3O2 and a molecular weight of 429.22 g/mol. Its IUPAC name is 7-iodo-3-(4-phenoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name7-iodo-3-(4-phenoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-amine
PubChem CID18450877
Molecular FormulaC18H12IN3O2
Molecular Weight429.22 g/mol
Exact Mass429.00
IUPAC Name7-iodo-3-(4-phenoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-amine
SMILESNc1ncc(I)c2onc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C18H12IN3O2/c19-14-10-21-18(20)15-16(22-24-17(14)15)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H2,20,21)
InChIKeyMQLDYBLEYASXDC-UHFFFAOYSA-N
XLogP4.87
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.22
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine
CID 142749831
5-phenoxypyridine-2,3-diamine
CID 21485976
5-(4-phenoxyphenyl)-1H-imidazol-2-amine
CID 82297784
5-chloro-3-(4-phenoxyphenyl)pyridin-2-amine
CID 66748130
3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine
CID 67283736
4,5,10,11,16,17-hexakis(4-phenoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 86035796
7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine
CID 50997405
3-(4-phenoxyphenyl)furo[3,2-c]pyridin-4-amine
CID 21036837
5-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 82486305
6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine
CID 70671621
5,6-dimethyl-3-(4-phenylmethoxyphenyl)-1,2-benzoxazole-4,7-diol
CID 136673193
4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide
CID 67574988

Frequently Asked Questions

What is the IUPAC name of 7-iodo-3-(4-phenoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 7-iodo-3-(4-phenoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-amine (CID 18450877) is 7-iodo-3-(4-phenoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 7-iodo-3-(4-phenoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 7-iodo-3-(4-phenoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-amine is Nc1ncc(I)c2onc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of 7-iodo-3-(4-phenoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-amine?
The InChIKey is MQLDYBLEYASXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12IN3O2/c19-14-10-21-18(20)15-16(22-24-17(14)15)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H2,20,21).
What are the key properties of 7-iodo-3-(4-phenoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-amine?
7-iodo-3-(4-phenoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-amine has a molecular weight of 429.22 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-3-(4-phenoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 18450877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).