N-(3,6-dihydro-2H-pyran-4-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide

C15H20N6O4 — CID 18448814

IUPACN-(3,6-dihydro-2H-pyran-4-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide
SMILESCc1noc(C)c1-n1nnn(C(=O)N(C2=CCOCC2)C(C)C)c1=O
InChIInChI=1S/C15H20N6O4/c1-9(2)19(12-5-7-24-8-6-12)14(22)21-15(23)20(17-18-21)13-10(3)16-25-11(13)4/h5,9H,6-8H2,1-4H3
InChIKeySLOUVLGQBTVJJA-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.02
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-4-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide

N-(3,6-dihydro-2H-pyran-4-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide (PubChem CID 18448814) has the molecular formula C15H20N6O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-4-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-4-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide
PubChem CID18448814
Molecular FormulaC15H20N6O4
Molecular Weight348.36 g/mol
Exact Mass348.15
IUPAC NameN-(3,6-dihydro-2H-pyran-4-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide
SMILESCc1noc(C)c1-n1nnn(C(=O)N(C2=CCOCC2)C(C)C)c1=O
InChIInChI=1S/C15H20N6O4/c1-9(2)19(12-5-7-24-8-6-12)14(22)21-15(23)20(17-18-21)13-10(3)16-25-11(13)4/h5,9H,6-8H2,1-4H3
InChIKeySLOUVLGQBTVJJA-UHFFFAOYSA-N
XLogP1.02
TPSA108.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-4-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide?
The IUPAC name of N-(3,6-dihydro-2H-pyran-4-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide (CID 18448814) is N-(3,6-dihydro-2H-pyran-4-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-4-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-4-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide is Cc1noc(C)c1-n1nnn(C(=O)N(C2=CCOCC2)C(C)C)c1=O.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-4-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide?
The InChIKey is SLOUVLGQBTVJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O4/c1-9(2)19(12-5-7-24-8-6-12)14(22)21-15(23)20(17-18-21)13-10(3)16-25-11(13)4/h5,9H,6-8H2,1-4H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-4-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide?
N-(3,6-dihydro-2H-pyran-4-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-4-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide is sourced from PubChem (CID 18448814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).