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

C21H18N2O3 — CID 99813436

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)OCc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C21H18N2O3/c1-13-19(16-10-6-7-11-17(16)22-13)21(24)25-12-18-14(2)26-20(23-18)15-8-4-3-5-9-15/h3-11,22H,12H2,1-2H3
InChIKeyCJNHIRAWWCZWDR-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.80
Rot. Bonds4

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

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate (PubChem CID 99813436) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate
PubChem CID99813436
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)OCc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C21H18N2O3/c1-13-19(16-10-6-7-11-17(16)22-13)21(24)25-12-18-14(2)26-20(23-18)15-8-4-3-5-9-15/h3-11,22H,12H2,1-2H3
InChIKeyCJNHIRAWWCZWDR-UHFFFAOYSA-N
XLogP4.80
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate
CID 16588831
(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 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 5-methylthiophene-2-carboxylate
CID 16611239
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-6-fluorobenzoate
CID 16588695
(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 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 24619119
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 16588390
4-O-methyl 2-O-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 46519451
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3,4-dichlorobenzoate
CID 16588714

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate (CID 99813436) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate is Cc1[nH]c2ccccc2c1C(=O)OCc1nc(-c2ccccc2)oc1C.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate?
The InChIKey is CJNHIRAWWCZWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-13-19(16-10-6-7-11-17(16)22-13)21(24)25-12-18-14(2)26-20(23-18)15-8-4-3-5-9-15/h3-11,22H,12H2,1-2H3.
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate has a molecular weight of 346.39 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 99813436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).