(3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane

C17H26N2O3 — CID 97485654

IUPAC(3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
SMILESCc1cc(CN2CCC[C@]3(C[C@@H](OCC4CC4)CO3)C2)no1
InChIInChI=1S/C17H26N2O3/c1-13-7-15(18-22-13)9-19-6-2-5-17(12-19)8-16(11-21-17)20-10-14-3-4-14/h7,14,16H,2-6,8-12H2,1H3/t16-,17+/m1/s1
InChIKeyXZFKOOWIACYAPL-SJORKVTESA-N
MW306.41 g/mol
LogP2.53
Rot. Bonds5

About (3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane

(3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane (PubChem CID 97485654) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
PubChem CID97485654
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
SMILESCc1cc(CN2CCC[C@]3(C[C@@H](OCC4CC4)CO3)C2)no1
InChIInChI=1S/C17H26N2O3/c1-13-7-15(18-22-13)9-19-6-2-5-17(12-19)8-16(11-21-17)20-10-14-3-4-14/h7,14,16H,2-6,8-12H2,1H3/t16-,17+/m1/s1
InChIKeyXZFKOOWIACYAPL-SJORKVTESA-N
XLogP2.53
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5S)-3-(cyclopropylmethoxy)-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 97419713
3-(cyclopropylmethoxy)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 134076676
(3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 124521959
(3S,5S)-9-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97475120
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171695459
(3R,5S)-3-(cyclopropylmethoxy)-7-[(3-methylthiophen-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97419940
(3S,5R)-9-[(5-methylfuran-2-yl)methyl]-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane
CID 97371565
(3R,5S)-7-[(4-methylphenyl)methyl]-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97419962
(3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97477567
[(3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-2-pyridinyl)methanone
CID 124792191
3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane
CID 131652504
(3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide
CID 124802411

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane (CID 97485654) is (3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane is Cc1cc(CN2CCC[C@]3(C[C@@H](OCC4CC4)CO3)C2)no1.
What is the InChIKey of (3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is XZFKOOWIACYAPL-SJORKVTESA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-7-15(18-22-13)9-19-6-2-5-17(12-19)8-16(11-21-17)20-10-14-3-4-14/h7,14,16H,2-6,8-12H2,1H3/t16-,17+/m1/s1.
What are the key properties of (3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
(3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 306.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97485654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).