N-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide

C17H23N3O4 — CID 131646854

IUPACN-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCC1CC1)C1COC2(CCN(C(=O)c3ccno3)CC2)C1
InChIInChI=1S/C17H23N3O4/c21-15(18-10-12-1-2-12)13-9-17(23-11-13)4-7-20(8-5-17)16(22)14-3-6-19-24-14/h3,6,12-13H,1-2,4-5,7-11H2,(H,18,21)
InChIKeyKVEOZBBLQHHNKN-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.21
Rot. Bonds4

About N-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide

N-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide (PubChem CID 131646854) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
PubChem CID131646854
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCC1CC1)C1COC2(CCN(C(=O)c3ccno3)CC2)C1
InChIInChI=1S/C17H23N3O4/c21-15(18-10-12-1-2-12)13-9-17(23-11-13)4-7-20(8-5-17)16(22)14-3-6-19-24-14/h3,6,12-13H,1-2,4-5,7-11H2,(H,18,21)
InChIKeyKVEOZBBLQHHNKN-UHFFFAOYSA-N
XLogP1.21
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97396165
N-methyl-8-(1,2-oxazole-5-carbonyl)-8-azaspiro[4.5]decane-3-carboxamide
CID 134070327
N-[[2-(cyclobutanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 131692659
(2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492507
[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone
CID 134074870
N-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 131692562
methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate
CID 115825393
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 90521311
1,2-oxazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 171156342
1,2-oxazol-5-yl-[(3R,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395407
1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164760
N-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 134070357

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide (CID 131646854) is N-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide is O=C(NCC1CC1)C1COC2(CCN(C(=O)c3ccno3)CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is KVEOZBBLQHHNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-15(18-10-12-1-2-12)13-9-17(23-11-13)4-7-20(8-5-17)16(22)14-3-6-19-24-14/h3,6,12-13H,1-2,4-5,7-11H2,(H,18,21).
What are the key properties of N-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide?
N-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 131646854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).