(3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone

C14H21N3O4S — CID 134074824

IUPAC(3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
SMILESCc1nocc1C(=O)N1CCCC2(CCCN2S(C)(=O)=O)C1
InChIInChI=1S/C14H21N3O4S/c1-11-12(9-21-15-11)13(18)16-7-3-5-14(10-16)6-4-8-17(14)22(2,19)20/h9H,3-8,10H2,1-2H3
InChIKeyBJLDAPABZWNGAE-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.01
Rot. Bonds2

About (3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone

(3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone (PubChem CID 134074824) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
PubChem CID134074824
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name(3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
SMILESCc1nocc1C(=O)N1CCCC2(CCCN2S(C)(=O)=O)C1
InChIInChI=1S/C14H21N3O4S/c1-11-12(9-21-15-11)13(18)16-7-3-5-14(10-16)6-4-8-17(14)22(2,19)20/h9H,3-8,10H2,1-2H3
InChIKeyBJLDAPABZWNGAE-UHFFFAOYSA-N
XLogP1.01
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-1,2-oxazol-4-yl)-[(5R)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393555
1-ethyl-8-(3-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 118739664
(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone
CID 118739245
1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
CID 131662776
(4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393507
[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone
CID 97482260
(3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072732
[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone
CID 97393532
(3-methyl-1,2-oxazol-4-yl)-[3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 134072585
furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone
CID 134074747
2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
CID 131641583
ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate
CID 110853959

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone (CID 134074824) is (3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone is Cc1nocc1C(=O)N1CCCC2(CCCN2S(C)(=O)=O)C1.
What is the InChIKey of (3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone?
The InChIKey is BJLDAPABZWNGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-11-12(9-21-15-11)13(18)16-7-3-5-14(10-16)6-4-8-17(14)22(2,19)20/h9H,3-8,10H2,1-2H3.
What are the key properties of (3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone?
(3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone has a molecular weight of 327.41 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 134074824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).