(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate

C19H15N3O3 — CID 16588831

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C19H15N3O3/c1-12-16(20-18(25-12)13-7-3-2-4-8-13)11-24-19(23)17-14-9-5-6-10-15(14)21-22-17/h2-10H,11H2,1H3,(H,21,22)
InChIKeyQHCWBIVUYQMYSV-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.88
Rot. Bonds4

About (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate (PubChem CID 16588831) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate
PubChem CID16588831
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C19H15N3O3/c1-12-16(20-18(25-12)13-7-3-2-4-8-13)11-24-19(23)17-14-9-5-6-10-15(14)21-22-17/h2-10H,11H2,1H3,(H,21,22)
InChIKeyQHCWBIVUYQMYSV-UHFFFAOYSA-N
XLogP3.88
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate
CID 99813436
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate
CID 16588864
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 16588390
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
CID 16588676
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
CID 16588766
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16588456
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-fluorobenzoate
CID 16588712
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 16612344
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate
CID 16611239
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 55644091
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3,4-dichlorobenzoate
CID 16588714
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-hydroxy-3-methylbenzoate
CID 16588903

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate (CID 16588831) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate is Cc1oc(-c2ccccc2)nc1COC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate?
The InChIKey is QHCWBIVUYQMYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-12-16(20-18(25-12)13-7-3-2-4-8-13)11-24-19(23)17-14-9-5-6-10-15(14)21-22-17/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate has a molecular weight of 333.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate is sourced from PubChem (CID 16588831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).