(1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate

C14H15N5O4 — CID 35306474

IUPAC(1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
SMILESCCCn1nnnc1COC(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C14H15N5O4/c1-2-5-19-12(16-17-18-19)7-23-14(21)9-3-4-10-11(6-9)22-8-13(20)15-10/h3-4,6H,2,5,7-8H2,1H3,(H,15,20)
InChIKeyFZFRGAZHBXDQHO-UHFFFAOYSA-N
MW317.31 g/mol
LogP0.77
Rot. Bonds5

About (1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate

(1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate (PubChem CID 35306474) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
PubChem CID35306474
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name(1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
SMILESCCCn1nnnc1COC(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C14H15N5O4/c1-2-5-19-12(16-17-18-19)7-23-14(21)9-3-4-10-11(6-9)22-8-13(20)15-10/h3-4,6H,2,5,7-8H2,1H3,(H,15,20)
InChIKeyFZFRGAZHBXDQHO-UHFFFAOYSA-N
XLogP0.77
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(1-phenyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 27789679
(1-propyltetrazol-5-yl)methyl furan-3-carboxylate
CID 55463280
(1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate
CID 55402390
(1-propyltetrazol-5-yl)methyl 4-butoxy-3-methoxybenzoate
CID 55398660
2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 71900585
3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide
CID 29373690
3-oxo-N-[(1-phenyltetrazol-5-yl)methyl]-4H-1,4-benzoxazine-7-carboxamide
CID 119072038
butyl 3-oxo-4H-1,4-benzoxazine-6-carboxylate
CID 112724842
(1-propyltetrazol-5-yl)methyl 2,4,6-trimethylbenzoate
CID 55399432
(1-butyltetrazol-5-yl)methyl 2-chloroquinoline-6-carboxylate
CID 55999037
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate
CID 61343515
(1-propyltetrazol-5-yl)methyl anthracene-9-carboxylate
CID 9231186

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate (CID 35306474) is (1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate is CCCn1nnnc1COC(=O)c1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate?
The InChIKey is FZFRGAZHBXDQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4/c1-2-5-19-12(16-17-18-19)7-23-14(21)9-3-4-10-11(6-9)22-8-13(20)15-10/h3-4,6H,2,5,7-8H2,1H3,(H,15,20).
What are the key properties of (1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate?
(1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate has a molecular weight of 317.31 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate is sourced from PubChem (CID 35306474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).