2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one

C23H30N4O4 — CID 131680937

IUPAC2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1noc(C)c1C(=O)N1CCOC2(C1)C(=O)N(CCN(C)C)CC2c1ccccc1
InChIInChI=1S/C23H30N4O4/c1-16-20(17(2)31-24-16)21(28)27-12-13-30-23(15-27)19(18-8-6-5-7-9-18)14-26(22(23)29)11-10-25(3)4/h5-9,19H,10-15H2,1-4H3
InChIKeyNONIVOJFEUNZHJ-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.69
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one

2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131680937) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131680937
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1noc(C)c1C(=O)N1CCOC2(C1)C(=O)N(CCN(C)C)CC2c1ccccc1
InChIInChI=1S/C23H30N4O4/c1-16-20(17(2)31-24-16)21(28)27-12-13-30-23(15-27)19(18-8-6-5-7-9-18)14-26(22(23)29)11-10-25(3)4/h5-9,19H,10-15H2,1-4H3
InChIKeyNONIVOJFEUNZHJ-UHFFFAOYSA-N
XLogP1.69
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
9-(3-chloro-2-methylbenzoyl)-4-phenyl-2-(pyridin-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one
CID 131697434
(4S)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97191794
(3,5-dimethyl-1,2-oxazol-4-yl)-(7-phenyl-1,4-thiazepan-4-yl)methanone
CID 90629477
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 120817861
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone
CID 122329180
[11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155850601
(2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 125024247
(2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26357999
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methanone
CID 163347120
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-ethyl-6-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 110230228
1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166623129

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one (CID 131680937) is 2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one is Cc1noc(C)c1C(=O)N1CCOC2(C1)C(=O)N(CCN(C)C)CC2c1ccccc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is NONIVOJFEUNZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-16-20(17(2)31-24-16)21(28)27-12-13-30-23(15-27)19(18-8-6-5-7-9-18)14-26(22(23)29)11-10-25(3)4/h5-9,19H,10-15H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one?
2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 426.52 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131680937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).