(4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

C18H20N2O4 — CID 125435695

IUPAC(4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCc1cccc2oc(CNC(=O)[C@@H]3CC(=O)OC34CCCC4)nc12
InChIInChI=1S/C18H20N2O4/c1-11-5-4-6-13-16(11)20-14(23-13)10-19-17(22)12-9-15(21)24-18(12)7-2-3-8-18/h4-6,12H,2-3,7-10H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyKVCRBZHENDMXJP-LBPRGKRZSA-N
MW328.37 g/mol
LogP2.63
Rot. Bonds3

About (4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

(4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 125435695) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID125435695
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCc1cccc2oc(CNC(=O)[C@@H]3CC(=O)OC34CCCC4)nc12
InChIInChI=1S/C18H20N2O4/c1-11-5-4-6-13-16(11)20-14(23-13)10-19-17(22)12-9-15(21)24-18(12)7-2-3-8-18/h4-6,12H,2-3,7-10H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyKVCRBZHENDMXJP-LBPRGKRZSA-N
XLogP2.63
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide with MolForge

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Related Compounds

N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 3077984
(4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 706698
(4R)-N-(1,3-benzothiazol-2-ylmethyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125165859
N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 56730546
(4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125171625
N-(1,3-benzothiazol-7-ylmethyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 164695892
N-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 118757221
N-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 118796001
N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 2956170
(4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125175436
2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131951276
1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119805023

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of (4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (CID 125435695) is (4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for (4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for (4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is Cc1cccc2oc(CNC(=O)[C@@H]3CC(=O)OC34CCCC4)nc12.
What is the InChIKey of (4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is KVCRBZHENDMXJP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-5-4-6-13-16(11)20-14(23-13)10-19-17(22)12-9-15(21)24-18(12)7-2-3-8-18/h4-6,12H,2-3,7-10H2,1H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
(4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 125435695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).