azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanone

C17H25N3O3 — CID 110246539

IUPACazepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(C(=O)N3CCCCCC3)C2)o1
InChIInChI=1S/C17H25N3O3/c1-12-15(23-13(2)18-12)17(22)20-10-7-14(11-20)16(21)19-8-5-3-4-6-9-19/h14H,3-11H2,1-2H3
InChIKeyYISGLDUNHKNCLS-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.16
Rot. Bonds2

About azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanone

azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanone (PubChem CID 110246539) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanone
PubChem CID110246539
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Nameazepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(C(=O)N3CCCCCC3)C2)o1
InChIInChI=1S/C17H25N3O3/c1-12-15(23-13(2)18-12)17(22)20-10-7-14(11-20)16(21)19-8-5-3-4-6-9-19/h14H,3-11H2,1-2H3
InChIKeyYISGLDUNHKNCLS-UHFFFAOYSA-N
XLogP2.16
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-Dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 71926645
(2,4-Dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 75423546
1-[4-(2,4-Dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 75423554
[(5aS,8aS)-4-(cyclopropylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 97420222
N-cyclopentyl-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-methylpyrrolidine-2-carboxamide
CID 110249142
4-[(2-Ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-2-(4-methylpentyl)morpholine
CID 45230778
(3S)-1-[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]-N,N-dimethylazepan-3-amine
CID 70774249
8-[(2,4-Dimethyl-1,3-oxazol-5-yl)carbonyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70788371
8-[(2,4-Dimethyl-1,3-oxazol-5-yl)carbonyl]-2-(3-methylbut-2-en-1-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 72907422
tert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate
CID 75438797
2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 77084474
N-cyclopentyl-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026185

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanone (CID 110246539) is azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanone is Cc1nc(C)c(C(=O)N2CCC(C(=O)N3CCCCCC3)C2)o1.
What is the InChIKey of azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanone?
The InChIKey is YISGLDUNHKNCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-15(23-13(2)18-12)17(22)20-10-7-14(11-20)16(21)19-8-5-3-4-6-9-19/h14H,3-11H2,1-2H3.
What are the key properties of azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanone?
azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanone has a molecular weight of 319.40 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 110246539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).