(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

C20H29N5O3 — CID 131897729

IUPAC(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCOC3(CCN(Cc4ccnn4C)CC3)C2)o1
InChIInChI=1S/C20H29N5O3/c1-4-17-22-15(2)18(28-17)19(26)25-11-12-27-20(14-25)6-9-24(10-7-20)13-16-5-8-21-23(16)3/h5,8H,4,6-7,9-14H2,1-3H3
InChIKeyLDNKYTOFKPGENA-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.79
Rot. Bonds4

About (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (PubChem CID 131897729) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
PubChem CID131897729
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCOC3(CCN(Cc4ccnn4C)CC3)C2)o1
InChIInChI=1S/C20H29N5O3/c1-4-17-22-15(2)18(28-17)19(26)25-11-12-27-20(14-25)6-9-24(10-7-20)13-16-5-8-21-23(16)3/h5,8H,4,6-7,9-14H2,1-3H3
InChIKeyLDNKYTOFKPGENA-UHFFFAOYSA-N
XLogP1.79
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone with MolForge

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Related Compounds

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 128516662
1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165422931
[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol
CID 104694713
(3aS,6aS)-5-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-2-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50959454
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 56750719
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 131899711
1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068464
(5R)-9-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95726030
formic acid;[2-[(2-methylpyrimidin-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
CID 154922003
formic acid;(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-pyridin-4-ylmethanone
CID 154919240
[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98897335
[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
CID 97450861

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (CID 131897729) is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.
What is the SMILES notation for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The canonical SMILES for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is CCc1nc(C)c(C(=O)N2CCOC3(CCN(Cc4ccnn4C)CC3)C2)o1.
What is the InChIKey of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The InChIKey is LDNKYTOFKPGENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-4-17-22-15(2)18(28-17)19(26)25-11-12-27-20(14-25)6-9-24(10-7-20)13-16-5-8-21-23(16)3/h5,8H,4,6-7,9-14H2,1-3H3.
What are the key properties of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone has a molecular weight of 387.48 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is sourced from PubChem (CID 131897729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).