ethyl 5-cyclopropyl-4-[2-methyl-4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carboxylate

C18H17N5O4 — CID 57234622

IUPACethyl 5-cyclopropyl-4-[2-methyl-4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2cnnn2)cc1C
InChIInChI=1S/C18H17N5O4/c1-3-26-18(25)15-14(17(27-20-15)11-4-5-11)16(24)13-7-6-12(8-10(13)2)23-9-19-21-22-23/h6-9,11H,3-5H2,1-2H3
InChIKeyHKSVPRAKQRPYQV-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.24
Rot. Bonds6

About ethyl 5-cyclopropyl-4-[2-methyl-4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carboxylate

ethyl 5-cyclopropyl-4-[2-methyl-4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carboxylate (PubChem CID 57234622) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-4-[2-methyl-4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-4-[2-methyl-4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carboxylate
PubChem CID57234622
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Nameethyl 5-cyclopropyl-4-[2-methyl-4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2cnnn2)cc1C
InChIInChI=1S/C18H17N5O4/c1-3-26-18(25)15-14(17(27-20-15)11-4-5-11)16(24)13-7-6-12(8-10(13)2)23-9-19-21-22-23/h6-9,11H,3-5H2,1-2H3
InChIKeyHKSVPRAKQRPYQV-UHFFFAOYSA-N
XLogP2.24
TPSA113.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-4-[2-methyl-4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-4-[2-methyl-4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carboxylate (CID 57234622) is ethyl 5-cyclopropyl-4-[2-methyl-4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-4-[2-methyl-4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-4-[2-methyl-4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2cnnn2)cc1C.
What is the InChIKey of ethyl 5-cyclopropyl-4-[2-methyl-4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carboxylate?
The InChIKey is HKSVPRAKQRPYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-3-26-18(25)15-14(17(27-20-15)11-4-5-11)16(24)13-7-6-12(8-10(13)2)23-9-19-21-22-23/h6-9,11H,3-5H2,1-2H3.
What are the key properties of ethyl 5-cyclopropyl-4-[2-methyl-4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carboxylate?
ethyl 5-cyclopropyl-4-[2-methyl-4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carboxylate has a molecular weight of 367.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-4-[2-methyl-4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 57234622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).