9-(cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H25N3O2S — CID 97471457

IUPAC9-(cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nc(CN2CC3(CCN(CC4CC4)CC3)OCC2=O)cs1
InChIInChI=1S/C17H25N3O2S/c1-13-18-15(11-23-13)9-20-12-17(22-10-16(20)21)4-6-19(7-5-17)8-14-2-3-14/h11,14H,2-10,12H2,1H3
InChIKeyLGVPLXJFUKPEKD-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.05
Rot. Bonds4

About 9-(cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471457) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471457
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name9-(cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nc(CN2CC3(CCN(CC4CC4)CC3)OCC2=O)cs1
InChIInChI=1S/C17H25N3O2S/c1-13-18-15(11-23-13)9-20-12-17(22-10-16(20)21)4-6-19(7-5-17)8-14-2-3-14/h11,14H,2-10,12H2,1H3
InChIKeyLGVPLXJFUKPEKD-UHFFFAOYSA-N
XLogP2.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471457) is 9-(cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1nc(CN2CC3(CCN(CC4CC4)CC3)OCC2=O)cs1.
What is the InChIKey of 9-(cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LGVPLXJFUKPEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-13-18-15(11-23-13)9-20-12-17(22-10-16(20)21)4-6-19(7-5-17)8-14-2-3-14/h11,14H,2-10,12H2,1H3.
What are the key properties of 9-(cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 335.47 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).