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

C16H23N5O2 — CID 91959428

IUPACN-[3-(2-ethylimidazol-1-yl)propyl]-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCCc1nccn1CCCNC(=O)c1nn2c(c1C)OCCC2
InChIInChI=1S/C16H23N5O2/c1-3-13-17-7-10-20(13)8-4-6-18-15(22)14-12(2)16-21(19-14)9-5-11-23-16/h7,10H,3-6,8-9,11H2,1-2H3,(H,18,22)
InChIKeyCPRIRKCQGSSEHD-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.55
Rot. Bonds6

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

N-[3-(2-ethylimidazol-1-yl)propyl]-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 91959428) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[3-(2-ethylimidazol-1-yl)propyl]-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylimidazol-1-yl)propyl]-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID91959428
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[3-(2-ethylimidazol-1-yl)propyl]-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCCc1nccn1CCCNC(=O)c1nn2c(c1C)OCCC2
InChIInChI=1S/C16H23N5O2/c1-3-13-17-7-10-20(13)8-4-6-18-15(22)14-12(2)16-21(19-14)9-5-11-23-16/h7,10H,3-6,8-9,11H2,1-2H3,(H,18,22)
InChIKeyCPRIRKCQGSSEHD-UHFFFAOYSA-N
XLogP1.55
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.55
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-ethylimidazol-1-yl)propyl]-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 91959428) is N-[3-(2-ethylimidazol-1-yl)propyl]-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-[3-(2-ethylimidazol-1-yl)propyl]-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-[3-(2-ethylimidazol-1-yl)propyl]-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is CCc1nccn1CCCNC(=O)c1nn2c(c1C)OCCC2.
What is the InChIKey of N-[3-(2-ethylimidazol-1-yl)propyl]-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is CPRIRKCQGSSEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-13-17-7-10-20(13)8-4-6-18-15(22)14-12(2)16-21(19-14)9-5-11-23-16/h7,10H,3-6,8-9,11H2,1-2H3,(H,18,22).
What are the key properties of N-[3-(2-ethylimidazol-1-yl)propyl]-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-[3-(2-ethylimidazol-1-yl)propyl]-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylimidazol-1-yl)propyl]-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 91959428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).