(5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C14H21N3O3 — CID 95717355

IUPAC(5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1nc(CN2CCC[C@]3(CC2)CN(C)C(=O)O3)co1
InChIInChI=1S/C14H21N3O3/c1-11-15-12(9-19-11)8-17-6-3-4-14(5-7-17)10-16(2)13(18)20-14/h9H,3-8,10H2,1-2H3/t14-/m0/s1
InChIKeyPMWDXWBDMALXQE-AWEZNQCLSA-N
MW279.34 g/mol
LogP1.79
Rot. Bonds2

About (5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

(5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 95717355) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID95717355
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1nc(CN2CCC[C@]3(CC2)CN(C)C(=O)O3)co1
InChIInChI=1S/C14H21N3O3/c1-11-15-12(9-19-11)8-17-6-3-4-14(5-7-17)10-16(2)13(18)20-14/h9H,3-8,10H2,1-2H3/t14-/m0/s1
InChIKeyPMWDXWBDMALXQE-AWEZNQCLSA-N
XLogP1.79
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95728806
3-methyl-9-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 74239736
(5R)-9-(1-benzofuran-5-ylmethyl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95719928
(5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95727661
(5R)-9-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95722332
(5R)-9-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95868973
9-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56908339
3-(4-chlorophenyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 155986186
2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95726725
3-methyl-8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
CID 154895528
4-(1,4-diazepan-1-ylmethyl)-2-methyl-1,3-oxazole
CID 121209349
3-methyl-7-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56912482

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 95717355) is (5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is Cc1nc(CN2CCC[C@]3(CC2)CN(C)C(=O)O3)co1.
What is the InChIKey of (5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is PMWDXWBDMALXQE-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11-15-12(9-19-11)8-17-6-3-4-14(5-7-17)10-16(2)13(18)20-14/h9H,3-8,10H2,1-2H3/t14-/m0/s1.
What are the key properties of (5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
(5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 279.34 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 95717355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).