2-(cyclopropylmethyl)-9-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H27N3O3 — CID 72934339

IUPAC2-(cyclopropylmethyl)-9-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nc(C)c(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)o1
InChIInChI=1S/C19H27N3O3/c1-13-17(25-14(2)20-13)18(24)21-9-7-19(8-10-21)6-5-16(23)22(12-19)11-15-3-4-15/h15H,3-12H2,1-2H3
InChIKeyLTPWCCDJYRBDRQ-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.55
Rot. Bonds3

About 2-(cyclopropylmethyl)-9-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-9-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72934339) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72934339
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-(cyclopropylmethyl)-9-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nc(C)c(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)o1
InChIInChI=1S/C19H27N3O3/c1-13-17(25-14(2)20-13)18(24)21-9-7-19(8-10-21)6-5-16(23)22(12-19)11-15-3-4-15/h15H,3-12H2,1-2H3
InChIKeyLTPWCCDJYRBDRQ-UHFFFAOYSA-N
XLogP2.55
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72934339) is 2-(cyclopropylmethyl)-9-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1nc(C)c(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)o1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LTPWCCDJYRBDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-17(25-14(2)20-13)18(24)21-9-7-19(8-10-21)6-5-16(23)22(12-19)11-15-3-4-15/h15H,3-12H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-9-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-9-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 345.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72934339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).