5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde

C14H11FN2O3 — CID 170338530

IUPAC5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde
SMILESCOc1cc(F)cc2cc(C=O)n(Cc3ccno3)c12
InChIInChI=1S/C14H11FN2O3/c1-19-13-6-10(15)4-9-5-11(8-18)17(14(9)13)7-12-2-3-16-20-12/h2-6,8H,7H2,1H3
InChIKeyQJYWLQOGLVGLHP-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.64
Rot. Bonds4

About 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde

5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde (PubChem CID 170338530) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde
PubChem CID170338530
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde
SMILESCOc1cc(F)cc2cc(C=O)n(Cc3ccno3)c12
InChIInChI=1S/C14H11FN2O3/c1-19-13-6-10(15)4-9-5-11(8-18)17(14(9)13)7-12-2-3-16-20-12/h2-6,8H,7H2,1H3
InChIKeyQJYWLQOGLVGLHP-UHFFFAOYSA-N
XLogP2.64
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-((5-(4-(trifluoromethyl)phenyl)isoxazol-3-yl)methoxy)-1H-indol-1-yl)acetic acid
CID 22504766
Ethyl 13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate
CID 155811370
3-(3-Methoxyphenyl)-5-(1-methylindol-2-yl)-1,2-oxazole
CID 71449224
3-(4-Methoxyphenyl)-5-(1-methylindol-2-yl)-1,2-oxazole
CID 71451027
3-(4-Fluorophenyl)-5-(1-methylindol-2-yl)-1,2-oxazole
CID 71460049
10-Methyl-4,5-dihydro-[1,2]oxazolo[5,4-a]carbazole
CID 71817508
3-(3-fluorophenyl)-5-(5-methoxy-1H-indol-2-yl)-1,2-oxazole
CID 136217448
13-[(3-Methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene
CID 162658252
1-Ethyl-5-methoxy-3-({2-[3-(propan-2-YL)-1,2-oxazol-5-YL]pyrrolidin-1-YL}methyl)-1H-indole
CID 53030992
6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 15384965
6-Fluoro-3-[1-[3-(5-methoxyindol-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole
CID 19420328
Methyl 2-[5-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methoxy]indol-1-yl]acetate
CID 20770835

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde?
The IUPAC name of 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde (CID 170338530) is 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde.
What is the SMILES notation for 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde?
The canonical SMILES for 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde is COc1cc(F)cc2cc(C=O)n(Cc3ccno3)c12.
What is the InChIKey of 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde?
The InChIKey is QJYWLQOGLVGLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-19-13-6-10(15)4-9-5-11(8-18)17(14(9)13)7-12-2-3-16-20-12/h2-6,8H,7H2,1H3.
What are the key properties of 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde?
5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde has a molecular weight of 274.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde is sourced from PubChem (CID 170338530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).