N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C18H19N5O3 — CID 131691289

IUPACN-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(Nc1ccccc1)C1=NOC2(CCCN(C(=O)c3ccn[nH]3)C2)C1
InChIInChI=1S/C18H19N5O3/c24-16(20-13-5-2-1-3-6-13)15-11-18(26-22-15)8-4-10-23(12-18)17(25)14-7-9-19-21-14/h1-3,5-7,9H,4,8,10-12H2,(H,19,21)(H,20,24)
InChIKeyKKZFMSXVPNXJCO-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.80
Rot. Bonds3

About N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 131691289) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID131691289
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(Nc1ccccc1)C1=NOC2(CCCN(C(=O)c3ccn[nH]3)C2)C1
InChIInChI=1S/C18H19N5O3/c24-16(20-13-5-2-1-3-6-13)15-11-18(26-22-15)8-4-10-23(12-18)17(25)14-7-9-19-21-14/h1-3,5-7,9H,4,8,10-12H2,(H,19,21)(H,20,24)
InChIKeyKKZFMSXVPNXJCO-UHFFFAOYSA-N
XLogP1.80
TPSA99.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 131691289) is N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(Nc1ccccc1)C1=NOC2(CCCN(C(=O)c3ccn[nH]3)C2)C1.
What is the InChIKey of N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is KKZFMSXVPNXJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c24-16(20-13-5-2-1-3-6-13)15-11-18(26-22-15)8-4-10-23(12-18)17(25)14-7-9-19-21-14/h1-3,5-7,9H,4,8,10-12H2,(H,19,21)(H,20,24).
What are the key properties of N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 131691289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).