2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one

C18H25N3O4 — CID 131658459

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1noc(C)c1CN1CC2(CCN(C(=O)[C@H]3CCCO3)C2)CC1=O
InChIInChI=1S/C18H25N3O4/c1-12-14(13(2)25-19-12)9-21-11-18(8-16(21)22)5-6-20(10-18)17(23)15-4-3-7-24-15/h15H,3-11H2,1-2H3/t15-,18?/m1/s1
InChIKeyQEVBELNPPOUIDF-NNJIEVJOSA-N
MW347.42 g/mol
LogP1.42
Rot. Bonds3

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131658459) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131658459
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1noc(C)c1CN1CC2(CCN(C(=O)[C@H]3CCCO3)C2)CC1=O
InChIInChI=1S/C18H25N3O4/c1-12-14(13(2)25-19-12)9-21-11-18(8-16(21)22)5-6-20(10-18)17(23)15-4-3-7-24-15/h15H,3-11H2,1-2H3/t15-,18?/m1/s1
InChIKeyQEVBELNPPOUIDF-NNJIEVJOSA-N
XLogP1.42
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155855870
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134077860
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 72931062
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72940901
(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97399170
(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97374212
(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97399153
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155867531
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131648152
N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 118744023
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131657386
[(5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-morpholin-4-ylmethanone
CID 97483169

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one (CID 131658459) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one is Cc1noc(C)c1CN1CC2(CCN(C(=O)[C@H]3CCCO3)C2)CC1=O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is QEVBELNPPOUIDF-NNJIEVJOSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12-14(13(2)25-19-12)9-21-11-18(8-16(21)22)5-6-20(10-18)17(23)15-4-3-7-24-15/h15H,3-11H2,1-2H3/t15-,18?/m1/s1.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 347.42 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(2R)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131658459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).