(1-phenyltetrazol-5-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

C19H15N5O3 — CID 27721163

IUPAC(1-phenyltetrazol-5-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)OCc1nnnn1-c1ccccc1
InChIInChI=1S/C19H15N5O3/c1-13-17(20-18(27-13)14-8-4-2-5-9-14)19(25)26-12-16-21-22-23-24(16)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyRRIQTYNZVBGZRO-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.98
Rot. Bonds5

About (1-phenyltetrazol-5-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

(1-phenyltetrazol-5-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 27721163) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is (1-phenyltetrazol-5-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name(1-phenyltetrazol-5-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID27721163
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name(1-phenyltetrazol-5-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)OCc1nnnn1-c1ccccc1
InChIInChI=1S/C19H15N5O3/c1-13-17(20-18(27-13)14-8-4-2-5-9-14)19(25)26-12-16-21-22-23-24(16)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyRRIQTYNZVBGZRO-UHFFFAOYSA-N
XLogP2.98
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2669364
2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 55310658
2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 71392848
2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 151350857
(2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 18165685
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 4847057
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726770
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 46639103
[2-oxo-2-(4-phenylphenyl)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727475
2-(4-bromophenoxy)ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726627
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726729
(1-phenyltetrazol-5-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate
CID 18199317

Frequently Asked Questions

What is the IUPAC name of (1-phenyltetrazol-5-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of (1-phenyltetrazol-5-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (CID 27721163) is (1-phenyltetrazol-5-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for (1-phenyltetrazol-5-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for (1-phenyltetrazol-5-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is Cc1oc(-c2ccccc2)nc1C(=O)OCc1nnnn1-c1ccccc1.
What is the InChIKey of (1-phenyltetrazol-5-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is RRIQTYNZVBGZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-13-17(20-18(27-13)14-8-4-2-5-9-14)19(25)26-12-16-21-22-23-24(16)15-10-6-3-7-11-15/h2-11H,12H2,1H3.
What are the key properties of (1-phenyltetrazol-5-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
(1-phenyltetrazol-5-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 361.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyltetrazol-5-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 27721163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).