2-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,3-oxazol-5-ol

C17H14ClN3O3 — CID 3893249

IUPAC2-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,3-oxazol-5-ol
SMILESCOc1ccc(Cl)cc1-c1nc(C=Nc2ncccc2C)c(O)o1
InChIInChI=1S/C17H14ClN3O3/c1-10-4-3-7-19-15(10)20-9-13-17(22)24-16(21-13)12-8-11(18)5-6-14(12)23-2/h3-9,22H,1-2H3
InChIKeySPTOWFGDJMEDJR-UHFFFAOYSA-N
MW343.77 g/mol
LogP4.16
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,3-oxazol-5-ol

2-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,3-oxazol-5-ol (PubChem CID 3893249) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,3-oxazol-5-ol
PubChem CID3893249
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name2-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,3-oxazol-5-ol
SMILESCOc1ccc(Cl)cc1-c1nc(C=Nc2ncccc2C)c(O)o1
InChIInChI=1S/C17H14ClN3O3/c1-10-4-3-7-19-15(10)20-9-13-17(22)24-16(21-13)12-8-11(18)5-6-14(12)23-2/h3-9,22H,1-2H3
InChIKeySPTOWFGDJMEDJR-UHFFFAOYSA-N
XLogP4.16
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol
CID 4642510
4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 3983604
2-(5-chloro-2-methoxyphenyl)-4-[(2,4-dibromophenyl)iminomethyl]-1,3-oxazol-5-ol
CID 4021538
4-(1,3-benzothiazol-2-yliminomethyl)-2-(5-chloro-2-methoxyphenyl)-1,3-oxazol-5-ol
CID 5193579
2-methoxy-6-[(3-methyl-2-pyridinyl)iminomethyl]phenol
CID 564866
2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol
CID 3426164
[3-[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate
CID 140530205
2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 91673887
4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
CID 5015995
4-[(2-chlorophenyl)iminomethyl]-2-(2-fluorophenyl)-1,3-oxazol-5-ol
CID 4011439
2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771469
4-[(3-chloro-4-fluorophenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol
CID 3553107

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,3-oxazol-5-ol (CID 3893249) is 2-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,3-oxazol-5-ol is COc1ccc(Cl)cc1-c1nc(C=Nc2ncccc2C)c(O)o1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,3-oxazol-5-ol?
The InChIKey is SPTOWFGDJMEDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-10-4-3-7-19-15(10)20-9-13-17(22)24-16(21-13)12-8-11(18)5-6-14(12)23-2/h3-9,22H,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,3-oxazol-5-ol?
2-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,3-oxazol-5-ol has a molecular weight of 343.77 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 3893249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).