N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C14H19N5O2 — CID 91959313

IUPACN-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1nccn1CCCNC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C14H19N5O2/c1-11-15-5-8-18(11)6-2-4-16-14(20)12-10-13-19(17-12)7-3-9-21-13/h5,8,10H,2-4,6-7,9H2,1H3,(H,16,20)
InChIKeySYRHQOVDINKEQJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.99
Rot. Bonds5

About N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 91959313) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID91959313
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1nccn1CCCNC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C14H19N5O2/c1-11-15-5-8-18(11)6-2-4-16-14(20)12-10-13-19(17-12)7-3-9-21-13/h5,8,10H,2-4,6-7,9H2,1H3,(H,16,20)
InChIKeySYRHQOVDINKEQJ-UHFFFAOYSA-N
XLogP0.99
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 91959313) is N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is Cc1nccn1CCCNC(=O)c1cc2n(n1)CCCO2.
What is the InChIKey of N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is SYRHQOVDINKEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-11-15-5-8-18(11)6-2-4-16-14(20)12-10-13-19(17-12)7-3-9-21-13/h5,8,10H,2-4,6-7,9H2,1H3,(H,16,20).
What are the key properties of N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylimidazol-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 91959313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).