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

C13H17N5O2 — CID 71789273

IUPACN-[2-(2-methylimidazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1nccn1CCNC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C13H17N5O2/c1-10-14-3-6-17(10)7-4-15-13(19)11-9-12-18(16-11)5-2-8-20-12/h3,6,9H,2,4-5,7-8H2,1H3,(H,15,19)
InChIKeyDJGORNMWFGHNIL-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.60
Rot. Bonds4

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

N-[2-(2-methylimidazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 71789273) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID71789273
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[2-(2-methylimidazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1nccn1CCNC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C13H17N5O2/c1-10-14-3-6-17(10)7-4-15-13(19)11-9-12-18(16-11)5-2-8-20-12/h3,6,9H,2,4-5,7-8H2,1H3,(H,15,19)
InChIKeyDJGORNMWFGHNIL-UHFFFAOYSA-N
XLogP0.60
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 71789273) is N-[2-(2-methylimidazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is Cc1nccn1CCNC(=O)c1cc2n(n1)CCCO2.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is DJGORNMWFGHNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-10-14-3-6-17(10)7-4-15-13(19)11-9-12-18(16-11)5-2-8-20-12/h3,6,9H,2,4-5,7-8H2,1H3,(H,15,19).
What are the key properties of N-[2-(2-methylimidazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-[2-(2-methylimidazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 71789273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).