8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one

C19H27N5O2 — CID 118744670

IUPAC8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1noc(C)c1CN1CCC2(CC1)C(c1cnn(C)c1)CC(=O)N2C
InChIInChI=1S/C19H27N5O2/c1-13-16(14(2)26-21-13)12-24-7-5-19(6-8-24)17(9-18(25)23(19)4)15-10-20-22(3)11-15/h10-11,17H,5-9,12H2,1-4H3
InChIKeyBVNJCJNSCHUKGS-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.01
Rot. Bonds3

About 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one

8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118744670) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118744670
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1noc(C)c1CN1CCC2(CC1)C(c1cnn(C)c1)CC(=O)N2C
InChIInChI=1S/C19H27N5O2/c1-13-16(14(2)26-21-13)12-24-7-5-19(6-8-24)17(9-18(25)23(19)4)15-10-20-22(3)11-15/h10-11,17H,5-9,12H2,1-4H3
InChIKeyBVNJCJNSCHUKGS-UHFFFAOYSA-N
XLogP2.01
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one (CID 118744670) is 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one is Cc1noc(C)c1CN1CCC2(CC1)C(c1cnn(C)c1)CC(=O)N2C.
What is the InChIKey of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BVNJCJNSCHUKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13-16(14(2)26-21-13)12-24-7-5-19(6-8-24)17(9-18(25)23(19)4)15-10-20-22(3)11-15/h10-11,17H,5-9,12H2,1-4H3.
What are the key properties of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 357.46 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118744670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).