5-(cyclopropylmethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C12H17N3O3 — CID 167414246

IUPAC5-(cyclopropylmethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESNC(=O)c1cc2n(n1)CCC(COCC1CC1)O2
InChIInChI=1S/C12H17N3O3/c13-12(16)10-5-11-15(14-10)4-3-9(18-11)7-17-6-8-1-2-8/h5,8-9H,1-4,6-7H2,(H2,13,16)
InChIKeySQRZSUHWDZMJKU-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.56
Rot. Bonds5

About 5-(cyclopropylmethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

5-(cyclopropylmethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 167414246) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-(cyclopropylmethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylmethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID167414246
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name5-(cyclopropylmethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESNC(=O)c1cc2n(n1)CCC(COCC1CC1)O2
InChIInChI=1S/C12H17N3O3/c13-12(16)10-5-11-15(14-10)4-3-9(18-11)7-17-6-8-1-2-8/h5,8-9H,1-4,6-7H2,(H2,13,16)
InChIKeySQRZSUHWDZMJKU-UHFFFAOYSA-N
XLogP0.56
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of 5-(cyclopropylmethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 167414246) is 5-(cyclopropylmethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for 5-(cyclopropylmethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for 5-(cyclopropylmethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is NC(=O)c1cc2n(n1)CCC(COCC1CC1)O2.
What is the InChIKey of 5-(cyclopropylmethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is SQRZSUHWDZMJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-12(16)10-5-11-15(14-10)4-3-9(18-11)7-17-6-8-1-2-8/h5,8-9H,1-4,6-7H2,(H2,13,16).
What are the key properties of 5-(cyclopropylmethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
5-(cyclopropylmethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 167414246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).