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

C17H23N3O4 — CID 118738912

IUPAC4-(cyclopropylmethyl)-5-methyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(CC2CC2)C(=O)COC12CCN(C(=O)c1ccno1)CC2
InChIInChI=1S/C17H23N3O4/c1-12-17(23-11-15(21)20(12)10-13-2-3-13)5-8-19(9-6-17)16(22)14-4-7-18-24-14/h4,7,12-13H,2-3,5-6,8-11H2,1H3
InChIKeyHYLKVOGZUZGIID-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.31
Rot. Bonds3

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

4-(cyclopropylmethyl)-5-methyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118738912) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-5-methyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-5-methyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118738912
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name4-(cyclopropylmethyl)-5-methyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(CC2CC2)C(=O)COC12CCN(C(=O)c1ccno1)CC2
InChIInChI=1S/C17H23N3O4/c1-12-17(23-11-15(21)20(12)10-13-2-3-13)5-8-19(9-6-17)16(22)14-4-7-18-24-14/h4,7,12-13H,2-3,5-6,8-11H2,1H3
InChIKeyHYLKVOGZUZGIID-UHFFFAOYSA-N
XLogP1.31
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-5-methyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-5-methyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118738912) is 4-(cyclopropylmethyl)-5-methyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-5-methyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-5-methyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1N(CC2CC2)C(=O)COC12CCN(C(=O)c1ccno1)CC2.
What is the InChIKey of 4-(cyclopropylmethyl)-5-methyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HYLKVOGZUZGIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12-17(23-11-15(21)20(12)10-13-2-3-13)5-8-19(9-6-17)16(22)14-4-7-18-24-14/h4,7,12-13H,2-3,5-6,8-11H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-5-methyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(cyclopropylmethyl)-5-methyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 333.39 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-5-methyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118738912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).