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

C14H18N4O3 — CID 71789276

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc3n(n2)CCCO3)on1
InChIInChI=1S/C14H18N4O3/c1-14(2,3)10-8-11(21-17-10)15-13(19)9-7-12-18(16-9)5-4-6-20-12/h7-8H,4-6H2,1-3H3,(H,15,19)
InChIKeyPBWIGQJKCSVLQN-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.20
Rot. Bonds2

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

N-(3-tert-butyl-1,2-oxazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 71789276) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID71789276
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc3n(n2)CCCO3)on1
InChIInChI=1S/C14H18N4O3/c1-14(2,3)10-8-11(21-17-10)15-13(19)9-7-12-18(16-9)5-4-6-20-12/h7-8H,4-6H2,1-3H3,(H,15,19)
InChIKeyPBWIGQJKCSVLQN-UHFFFAOYSA-N
XLogP2.20
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 71789276) is N-(3-tert-butyl-1,2-oxazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is CC(C)(C)c1cc(NC(=O)c2cc3n(n2)CCCO3)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is PBWIGQJKCSVLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-14(2,3)10-8-11(21-17-10)15-13(19)9-7-12-18(16-9)5-4-6-20-12/h7-8H,4-6H2,1-3H3,(H,15,19).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 71789276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).