(4-cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone

C17H26N2O3 — CID 128767551

IUPAC(4-cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C(C)C)oc1C(=O)N1CCC(OC2CCC2)CC1
InChIInChI=1S/C17H26N2O3/c1-11(2)16-18-12(3)15(22-16)17(20)19-9-7-14(8-10-19)21-13-5-4-6-13/h11,13-14H,4-10H2,1-3H3
InChIKeyOGNMGVUQGQICHK-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.28
Rot. Bonds4

About (4-cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone

(4-cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone (PubChem CID 128767551) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (4-cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(4-cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone
PubChem CID128767551
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(4-cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C(C)C)oc1C(=O)N1CCC(OC2CCC2)CC1
InChIInChI=1S/C17H26N2O3/c1-11(2)16-18-12(3)15(22-16)17(20)19-9-7-14(8-10-19)21-13-5-4-6-13/h11,13-14H,4-10H2,1-3H3
InChIKeyOGNMGVUQGQICHK-UHFFFAOYSA-N
XLogP3.28
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-2-(4-methylpentyl)morpholine
CID 50975783
(2,4-Dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 75423546
4-[(2-Ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-2-(4-methylpentyl)morpholine
CID 45230778
(2-Isopropyl-5-methyl-1,3-oxazol-4-yl)(morpholino)methanone
CID 53195248
[(3R*,4R*)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-4-(4-morpholinylmethyl)-3-pyrrolidinyl]methanol
CID 72839519
[(5aS,9aS)-1-(2-methoxyethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[3,4-e][1,4]oxazepin-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124041502
8-[(2,4-Dimethyl-1,3-oxazol-5-yl)carbonyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70788371
2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide
CID 77092028
Ethyl 4-{[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]amino}piperidine-1-carboxylate
CID 77094000
2-ethyl-4-methyl-N-[(2S)-2-propoxypropyl]-1,3-oxazole-5-carboxamide
CID 97922796
ethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate
CID 124847548
2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 124850902

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone?
The IUPAC name of (4-cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone (CID 128767551) is (4-cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for (4-cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for (4-cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone is Cc1nc(C(C)C)oc1C(=O)N1CCC(OC2CCC2)CC1.
What is the InChIKey of (4-cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone?
The InChIKey is OGNMGVUQGQICHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11(2)16-18-12(3)15(22-16)17(20)19-9-7-14(8-10-19)21-13-5-4-6-13/h11,13-14H,4-10H2,1-3H3.
What are the key properties of (4-cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone?
(4-cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone has a molecular weight of 306.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 128767551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).