8-[ethyl-[(2-methyltetrazol-5-yl)methyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid

C14H18N6O4 — CID 118931398

IUPAC8-[ethyl-[(2-methyltetrazol-5-yl)methyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid
SMILESCCN(Cc1nnn(C)n1)C(=O)c1cc(C(=O)O)n2c1COCC2
InChIInChI=1S/C14H18N6O4/c1-3-19(7-12-15-17-18(2)16-12)13(21)9-6-10(14(22)23)20-4-5-24-8-11(9)20/h6H,3-5,7-8H2,1-2H3,(H,22,23)
InChIKeyBMDXKOMXVMHRBR-UHFFFAOYSA-N
MW334.34 g/mol
LogP-0.10
Rot. Bonds5

About 8-[ethyl-[(2-methyltetrazol-5-yl)methyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid

8-[ethyl-[(2-methyltetrazol-5-yl)methyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid (PubChem CID 118931398) has the molecular formula C14H18N6O4 and a molecular weight of 334.34 g/mol. Its IUPAC name is 8-[ethyl-[(2-methyltetrazol-5-yl)methyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid.

Molecular Properties

Compound Name8-[ethyl-[(2-methyltetrazol-5-yl)methyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid
PubChem CID118931398
Molecular FormulaC14H18N6O4
Molecular Weight334.34 g/mol
Exact Mass334.14
IUPAC Name8-[ethyl-[(2-methyltetrazol-5-yl)methyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid
SMILESCCN(Cc1nnn(C)n1)C(=O)c1cc(C(=O)O)n2c1COCC2
InChIInChI=1S/C14H18N6O4/c1-3-19(7-12-15-17-18(2)16-12)13(21)9-6-10(14(22)23)20-4-5-24-8-11(9)20/h6H,3-5,7-8H2,1-2H3,(H,22,23)
InChIKeyBMDXKOMXVMHRBR-UHFFFAOYSA-N
XLogP-0.10
TPSA115.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[ethyl-[(2-methyltetrazol-5-yl)methyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid?
The IUPAC name of 8-[ethyl-[(2-methyltetrazol-5-yl)methyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid (CID 118931398) is 8-[ethyl-[(2-methyltetrazol-5-yl)methyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid.
What is the SMILES notation for 8-[ethyl-[(2-methyltetrazol-5-yl)methyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid?
The canonical SMILES for 8-[ethyl-[(2-methyltetrazol-5-yl)methyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid is CCN(Cc1nnn(C)n1)C(=O)c1cc(C(=O)O)n2c1COCC2.
What is the InChIKey of 8-[ethyl-[(2-methyltetrazol-5-yl)methyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid?
The InChIKey is BMDXKOMXVMHRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O4/c1-3-19(7-12-15-17-18(2)16-12)13(21)9-6-10(14(22)23)20-4-5-24-8-11(9)20/h6H,3-5,7-8H2,1-2H3,(H,22,23).
What are the key properties of 8-[ethyl-[(2-methyltetrazol-5-yl)methyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid?
8-[ethyl-[(2-methyltetrazol-5-yl)methyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid has a molecular weight of 334.34 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[ethyl-[(2-methyltetrazol-5-yl)methyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid is sourced from PubChem (CID 118931398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).