(5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

C19H23N5O3 — CID 126444714

IUPAC(5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESO=C1NC[C@]2(CCCN(C(=O)NCc3cn[nH]c3-c3ccccc3)CC2)O1
InChIInChI=1S/C19H23N5O3/c25-17(24-9-4-7-19(8-10-24)13-21-18(26)27-19)20-11-15-12-22-23-16(15)14-5-2-1-3-6-14/h1-3,5-6,12H,4,7-11,13H2,(H,20,25)(H,21,26)(H,22,23)/t19-/m1/s1
InChIKeyHOKUILLFTYGMSW-LJQANCHMSA-N
MW369.43 g/mol
LogP2.25
Rot. Bonds3

About (5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

(5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (PubChem CID 126444714) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.

Molecular Properties

Compound Name(5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
PubChem CID126444714
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESO=C1NC[C@]2(CCCN(C(=O)NCc3cn[nH]c3-c3ccccc3)CC2)O1
InChIInChI=1S/C19H23N5O3/c25-17(24-9-4-7-19(8-10-24)13-21-18(26)27-19)20-11-15-12-22-23-16(15)14-5-2-1-3-6-14/h1-3,5-6,12H,4,7-11,13H2,(H,20,25)(H,21,26)(H,22,23)/t19-/m1/s1
InChIKeyHOKUILLFTYGMSW-LJQANCHMSA-N
XLogP2.25
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The IUPAC name of (5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (CID 126444714) is (5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.
What is the SMILES notation for (5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The canonical SMILES for (5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is O=C1NC[C@]2(CCCN(C(=O)NCc3cn[nH]c3-c3ccccc3)CC2)O1.
What is the InChIKey of (5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The InChIKey is HOKUILLFTYGMSW-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-17(24-9-4-7-19(8-10-24)13-21-18(26)27-19)20-11-15-12-22-23-16(15)14-5-2-1-3-6-14/h1-3,5-6,12H,4,7-11,13H2,(H,20,25)(H,21,26)(H,22,23)/t19-/m1/s1.
What are the key properties of (5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
(5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is sourced from PubChem (CID 126444714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).