(1-propyltetrazol-5-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

C13H19N5O3 — CID 55403111

IUPAC(1-propyltetrazol-5-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
SMILESCCCn1nnnc1COC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C13H19N5O3/c1-5-6-18-10(14-16-17-18)7-20-13(19)11-9(4)15-21-12(11)8(2)3/h8H,5-7H2,1-4H3
InChIKeyWIJFKJZLJPGRHI-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.86
Rot. Bonds6

About (1-propyltetrazol-5-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

(1-propyltetrazol-5-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate (PubChem CID 55403111) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
PubChem CID55403111
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name(1-propyltetrazol-5-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
SMILESCCCn1nnnc1COC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C13H19N5O3/c1-5-6-18-10(14-16-17-18)7-20-13(19)11-9(4)15-21-12(11)8(2)3/h8H,5-7H2,1-4H3
InChIKeyWIJFKJZLJPGRHI-UHFFFAOYSA-N
XLogP1.86
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(1-propyltetrazol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 18098853
(1-propyltetrazol-5-yl)methyl 2,4,6-trimethylbenzoate
CID 55399432
(1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate
CID 55769227
(1-propyltetrazol-5-yl)methyl furan-3-carboxylate
CID 55463280
(1-propyltetrazol-5-yl)methyl anthracene-9-carboxylate
CID 9231186
(1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 8628062
prop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 60593172
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507265
(1-propyltetrazol-5-yl)methyl 4-(dimethylamino)benzoate
CID 55397270
(1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate
CID 55401994
(1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate
CID 55472995
(1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate
CID 9203407

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate (CID 55403111) is (1-propyltetrazol-5-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate is CCCn1nnnc1COC(=O)c1c(C)noc1C(C)C.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate?
The InChIKey is WIJFKJZLJPGRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-5-6-18-10(14-16-17-18)7-20-13(19)11-9(4)15-21-12(11)8(2)3/h8H,5-7H2,1-4H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate?
(1-propyltetrazol-5-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate has a molecular weight of 293.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 55403111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).