N-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C15H17N3O2 — CID 90536815

IUPACN-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCCN(C(=O)c1cc2n(n1)CCCO2)c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-2-17(12-7-4-3-5-8-12)15(19)13-11-14-18(16-13)9-6-10-20-14/h3-5,7-8,11H,2,6,9-10H2,1H3
InChIKeyIKAUSAYQGMLNII-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.33
Rot. Bonds3

About N-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 90536815) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID90536815
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCCN(C(=O)c1cc2n(n1)CCCO2)c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-2-17(12-7-4-3-5-8-12)15(19)13-11-14-18(16-13)9-6-10-20-14/h3-5,7-8,11H,2,6,9-10H2,1H3
InChIKeyIKAUSAYQGMLNII-UHFFFAOYSA-N
XLogP2.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536729
N-benzyl-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536728
N-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536819
N-(1-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536800
N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 97104398
N-ethyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 171393518
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 71789354
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109088588
N-ethyl-N-phenyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 110857857
5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109289326
N-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide
CID 90509364
2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19623365

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 90536815) is N-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is CCN(C(=O)c1cc2n(n1)CCCO2)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is IKAUSAYQGMLNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-17(12-7-4-3-5-8-12)15(19)13-11-14-18(16-13)9-6-10-20-14/h3-5,7-8,11H,2,6,9-10H2,1H3.
What are the key properties of N-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 90536815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).